1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid

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Systematic / IUPAC Name: 1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid

ID: Reference5645

Other Names: 3-Carboxy-1,2,3,4-tetrahydroisoquinoline;
(1)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid;
1,2,3,4-Tetrahydro-3-isoquinoline carboxylic acid;
1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid;
1,2,3.4-Tetrahydroisoquinoline-3-carboxylic acid ; more

Formula: C10H11NO2

Spectral Data

1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 212
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/19/2016 2:31:38 PM
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Identificators

InChI InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)
InChI Key BWKMGYQJPOAASG-UHFFFAOYSA-N
Canonical SMILES C1C(NCC2=CC=CC=C21)C(=O)O
CAS
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Other Names 3-Carboxy-1,2,3,4-tetrahydroisoquinoline;
(1)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid;
1,2,3,4-Tetrahydro-3-isoquinoline carboxylic acid;
1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid;
1,2,3.4-Tetrahydroisoquinoline-3-carboxylic acid;
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-;
Tetrahydro-3-isoquinoline carboxylic acid;
Tetrahydroisoquinoline-3-carboxylic acid;
3-Carboxy-1,2,3,4-tetrahydroisoquinolinium

In Other Databases

PubChem 95489
ChemIDPlus 035186993; 067123971
ChEMBL CHEMBL11912
ChemSpider 86184