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3-Hexylisocoumarin

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

3-Hexylisocoumarin
SpectraBase Compound ID 3iMd1utUWPi
InChI InChI=1S/C15H18O2/c1-2-3-4-5-9-13-11-12-8-6-7-10-14(12)15(16)17-13/h6-8,10-11H,2-5,9H2,1H3
InChIKey PEAFZXXBOXWIEF-UHFFFAOYSA-N
Mol Weight 230.31 g/mol
Molecular Formula C15H18O2
Exact Mass 230.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8d2JtneZmpu
Name 3-Hexylisocoumarin
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O2
InChI InChI=1S/C15H18O2/c1-2-3-4-5-9-13-11-12-8-6-7-10-14(12)15(16)17-13/h6-8,10-11H,2-5,9H2,1H3
InChIKey PEAFZXXBOXWIEF-UHFFFAOYSA-N
Molecular Weight 230.307 g/mol
SMILES C1(OC(CCCCCC)=Cc2c1cccc2)=O
SPLASH splash10-014i-0940000000-80834252ce84f3a5f03e
Source of Spectrum H1-41-2594-3
Synonyms 3-hexyl-2-benzopyran-1-one
Wiley ID 757370