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6-(Indol-3'-yl)-5-methylhepta-3(E),5(E)-dien-2-one

View entire compound with spectra: 1 MS (GC)

6-(Indol-3'-yl)-5-methylhepta-3(E),5(E)-dien-2-one
SpectraBase Compound ID EEtKU57Jmaz
InChI InChI=1S/C16H17NO/c1-11(8-9-12(2)18)13(3)15-10-17-16-7-5-4-6-14(15)16/h4-10,17H,1-3H3/b9-8+,13-11+
InChIKey XYPNIPPMKPLGOZ-VKTMSVCMSA-N
Mol Weight 239.32 g/mol
Molecular Formula C16H17NO
Exact Mass 239.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxWYYG70Rfj
Name 6-(Indol-3'-yl)-5-methylhepta-3(E),5(E)-dien-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO
InChI InChI=1S/C16H17NO/c1-11(8-9-12(2)18)13(3)15-10-17-16-7-5-4-6-14(15)16/h4-10,17H,1-3H3/b9-8+,13-11+
InChIKey XYPNIPPMKPLGOZ-VKTMSVCMSA-N
Molecular Weight 239.318 g/mol
SMILES [nH]1c2c(c(c1)\C(=C\(\C=C\C(=O)C)C)C)cccc2
SPLASH splash10-007t-0980000000-48699dba660dbfbab974
Source of Spectrum X2-54-1060-7
Synonyms (3E,5E)-6-(1H-indol-3-yl)-5-methyl-2-hepta-3,5-dienone (3E,5E)-6-(1H-indol-3-yl)-5-methylhepta-3,5-dien-2-one
Wiley ID 1604185