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1-(1H-Indol-3-yl)-5,9-dimethyldeca-4,8-dien-3-one
SpectraBase Compound ID 6TEn2LoDrIv
InChI InChI=1S/C20H25NO/c1-15(2)7-6-8-16(3)13-18(22)12-11-17-14-21-20-10-5-4-9-19(17)20/h4-5,7,9-10,13-14,21H,6,8,11-12H2,1-3H3
InChIKey PBUZNIHSLUPLMN-UHFFFAOYSA-N
Mol Weight 295.43 g/mol
Molecular Formula C20H25NO
Exact Mass 295.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83cz7ki9Yhz
Name 1-(1H-Indol-3-yl)-5,9-dimethyldeca-4,8-dien-3-one
Appearance Yellow oil or foam
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO
InChI InChI=1S/C20H25NO/c1-15(2)7-6-8-16(3)13-18(22)12-11-17-14-21-20-10-5-4-9-19(17)20/h4-5,7,9-10,13-14,21H,6,8,11-12H2,1-3H3
InChIKey PBUZNIHSLUPLMN-UHFFFAOYSA-N
Instrument Name Finnigan Mat 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801846
Quality 85
SMILES N1C=C(C=2C=CC=CC12)CCC(=O)C=C(CCC=C(C)C)C
SPLASH splash10-001m-0920000000-291e8e2d63a357e9674a
Sample Comments E/Z = 2:1
Source of Spectrum ACI-57-SM6-4f (DOI: 10.1002/anie.201801846)
Wiley ID 1890928