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4-(1H-indol-2-yl)-2-methyl-4-oxobutanal

View entire compound with spectra: 1 MS (GC)

4-(1H-indol-2-yl)-2-methyl-4-oxobutanal
SpectraBase Compound ID 9mwcdPO4b6J
InChI InChI=1S/C13H13NO2/c1-9(8-15)6-13(16)12-7-10-4-2-3-5-11(10)14-12/h2-5,7-9,14H,6H2,1H3
InChIKey NIUGAQOEVBHBHI-UHFFFAOYSA-N
Mol Weight 215.25 g/mol
Molecular Formula C13H13NO2
Exact Mass 215.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JeHodckSAM5
Name 4-(1H-indol-2-yl)-2-methyl-4-oxobutanal
Alternate Name(s) 4-(1H-indol-2-yl)-2-methyl-4-oxo-butanal 4-(1H-indol-2-yl)-2-methyl-4-oxidanylidene-butanal
CAS Registry Number 103763-45-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO2
InChI InChI=1S/C13H13NO2/c1-9(8-15)6-13(16)12-7-10-4-2-3-5-11(10)14-12/h2-5,7-9,14H,6H2,1H3
InChIKey NIUGAQOEVBHBHI-UHFFFAOYSA-N
Molecular Weight 215.252 g/mol
SMILES [nH]1c2ccccc2cc1C(CC(C=O)C)=O
SPLASH splash10-00ku-3920000000-1ed3f42393e2270f6016
Source of Spectrum KC-1988-238-14
Wiley ID 1214671