3a-(3,4-Dimethoxyphenyl)-1-methyl-1,2,3,3a,4,5-hexahydro-6H-indol-6-one

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Systematic / IUPAC Name: 3a-(3,4-Dimethoxyphenyl)-1-methyl-2,3,4,5-tetrahydroindol-6-one

ID: Reference7875

Other Names: 6H-Indol-6-one, 3a-(3,4-dimethoxyphenyl)-1,2,3,3a,4,5-hexahydro-1-methyl-

Formula: C17H21NO3

Spectral Data

3a-(3,4-Dimethoxyphenyl)-1-methyl-1,2,3,3a,4,5-hexahydro-6H-indol-6-one 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 Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/1/2018 12:40:21 PM
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Identificators

InChI InChI=1S/C17H21NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10-11H,6-9H2,1-3H3
InChI Key XPUOZJJNPJXFTD-UHFFFAOYSA-N
Canonical SMILES CN1CCC2(C1=CC(=O)CC2)C3=CC(=C(C=C3)OC)OC
CAS
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Other Names 6H-Indol-6-one, 3a-(3,4-dimethoxyphenyl)-1,2,3,3a,4,5-hexahydro-1-methyl-

In Other Databases

ChemSpider 9252185
PubChem 11077036