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methyl 1-(cyclohexylmethyl)-1H-indole-3-carboxylate
SpectraBase Compound ID 6b2K29aSMlT
InChI InChI=1S/C17H21NO2/c1-20-17(19)15-12-18(11-13-7-3-2-4-8-13)16-10-6-5-9-14(15)16/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3
InChIKey KNWOMWABRWXHET-UHFFFAOYSA-N
Mol Weight 271.36 g/mol
Molecular Formula C17H21NO2
Exact Mass 271.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GEyB2wrD5U
Name Methyl 1-(cyclohexylmethyl)-1H-indole-3-carboxylate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 271.157228918 u
Formula C17H21NO2
InChI InChI=1S/C17H21NO2/c1-20-17(19)15-12-18(11-13-7-3-2-4-8-13)16-10-6-5-9-14(15)16/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3
InChIKey KNWOMWABRWXHET-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 271.360 g/mol
Nominal Mass 271 u
Quality 946
Retention Index 2102
SMILES C=12C(C(=CN2CC2CCCCC2)C(OC)=O)=CC=CC1
SPLASH splash10-000i-2930000000-98cc87b840e3ae3a206d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms methyl 1-(cyclohexylmethyl)-1H-indole-3-carboxylate
Technique GC/MS
Wiley ID DD2024_034636