2'-Cyclohexyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid

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Systematic / IUPAC Name: 2-Cyclohexyl-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxylic acid

ID: Reference6433

Other Names: 2-Cyclohexyl-1-oxo-3-spiro(cyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid;
Spiro[cyclohexane-1,3'(2'H)-isoquinoline]-4'-carboxylic acid, 2'-cyclohexyl-1',4'-dihydro-1'-oxo-

Formula: C21H27NO3

Spectral Data

2'-Cyclohexyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic 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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/3/2017 7:04:19 AM
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Identificators

InChI InChI=1S/C21H27NO3/c23-19-17-12-6-5-11-16(17)18(20(24)25)21(13-7-2-8-14-21)22(19)15-9-3-1-4-10-15/h5-6,11-12,15,18H,1-4,7-10,13-14H2,(H,24,25)
InChI Key HOSRWXXLRWQPPH-UHFFFAOYSA-N
Canonical SMILES C1CCC(CC1)N2C(=O)C3=CC=CC=C3C(C24CCCCC4)C(=O)O
CAS
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Other Names 2-Cyclohexyl-1-oxo-3-spiro(cyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid;
Spiro[cyclohexane-1,3'(2'H)-isoquinoline]-4'-carboxylic acid, 2'-cyclohexyl-1',4'-dihydro-1'-oxo-

In Other Databases

ChemSpider 2104466
PubChem 2826354