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Methyl 2,7-dimethyl-1H-indole-6-carboxylate
SpectraBase Compound ID GZZkThBHTYS
InChI InChI=1S/C12H13NO2/c1-7-6-9-4-5-10(12(14)15-3)8(2)11(9)13-7/h4-6,13H,1-3H3
InChIKey KYZGKGZHHFZVMS-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtagZ2b8KcP
Name Methyl 2,7-dimethyl-1H-indole-6-carboxylate
Appearance Pale yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-7-6-9-4-5-10(12(14)15-3)8(2)11(9)13-7/h4-6,13H,1-3H3
InChIKey KYZGKGZHHFZVMS-UHFFFAOYSA-N
Instrument Name Kratos MS 50/Thermo Quest Finnigan MAT 95 XL
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.132
Molecular Weight 203.241 g/mol
Reported Formula C12H13NO2
SMILES [nH]1c(cc2ccc(c(c12)C)C(OC)=O)C
SPLASH splash10-0pi3-4940000000-74cfdffd665ecb02c3a1
Source of Spectrum BJO-8-SM12-4{b,c}
Thin-Layer Chromatography Rf = 0.52 (cyclohexane/ethyl acetate, 3:1)
Wiley ID 1864911