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3-(1-cyclohexenyl)-2-benzopyran-1-one
SpectraBase Compound ID 6GGCaGGkzQX
InChI InChI=1S/C15H14O2/c16-15-13-9-5-4-8-12(13)10-14(17-15)11-6-2-1-3-7-11/h4-6,8-10H,1-3,7H2
InChIKey QWKHLHCDARBKKN-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C15H14O2
Exact Mass 226.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88CnIXAGFDR
Name 3-(1-cyclohexenyl)-2-benzopyran-1-one
Alternate Name(s) 3-(cyclohexen-1-yl)isochromen-1-one 3-(cyclohexen-1-yl)isocoumarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14O2
InChI InChI=1S/C15H14O2/c16-15-13-9-5-4-8-12(13)10-14(17-15)11-6-2-1-3-7-11/h4-6,8-10H,1-3,7H2
InChIKey QWKHLHCDARBKKN-UHFFFAOYSA-N
Molecular Weight 226.275 g/mol
SMILES C=1(OC(=O)c2c(C1)cccc2)C1=CCCCC1
SPLASH splash10-004r-1390000000-22e44c58d59a07562dc9
Source of Spectrum J-60-3715-9
Wiley ID 1228061