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3-(.alpha.-Cyclohexenylacetyl)coumarin
SpectraBase Compound ID 5mS7s7ucBx9
InChI InChI=1S/C17H16O3/c18-15(10-12-6-2-1-3-7-12)14-11-13-8-4-5-9-16(13)20-17(14)19/h4-6,8-9,11H,1-3,7,10H2
InChIKey BWMVVNGLZZCAAT-UHFFFAOYSA-N
Mol Weight 268.31 g/mol
Molecular Formula C17H16O3
Exact Mass 268.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kp1IedlRNT7
Name 3-(.alpha.-Cyclohexenylacetyl)coumarin
Alternate Name(s) 3-(1-cyclohexen-1-ylacetyl)-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O3
InChI InChI=1S/C17H16O3/c18-15(10-12-6-2-1-3-7-12)14-11-13-8-4-5-9-16(13)20-17(14)19/h4-6,8-9,11H,1-3,7,10H2
InChIKey BWMVVNGLZZCAAT-UHFFFAOYSA-N
Molecular Weight 268.312 g/mol
SMILES C1(Oc2ccccc2C=C1C(=O)CC1=CCCCC1)=O
SPLASH splash10-00di-1950000000-0cb73b1387dbca897aa3
Source of Spectrum SO-0-860-4
Wiley ID 1538254