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1-(1H-Indol-3-yl)-3,3,4-trimethylpent-4-en-1-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(1H-Indol-3-yl)-3,3,4-trimethylpent-4-en-1-one
SpectraBase Compound ID CGe5a4rvM5X
InChI InChI=1S/C16H19NO/c1-11(2)16(3,4)9-15(18)13-10-17-14-8-6-5-7-12(13)14/h5-8,10,17H,1,9H2,2-4H3
InChIKey NSRDFLOPIJLMCX-UHFFFAOYSA-N
Mol Weight 241.33 g/mol
Molecular Formula C16H19NO
Exact Mass 241.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6n7bcqWg3bs
Name 1-(1H-Indol-3-yl)-3,3,4-trimethylpent-4-en-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO
InChI InChI=1S/C16H19NO/c1-11(2)16(3,4)9-15(18)13-10-17-14-8-6-5-7-12(13)14/h5-8,10,17H,1,9H2,2-4H3
InChIKey NSRDFLOPIJLMCX-UHFFFAOYSA-N
Molecular Weight 241.334 g/mol
SMILES [nH]1c2ccccc2c(c1)C(CC(C(=C)C)(C)C)=O
SPLASH splash10-05mo-1910000000-6e34b55f89bc5a8958e6
Source of Spectrum Vadim Shevyrin, et al. Forensic Science International, V.226, 2013, P.62-73
Wiley ID 1816166