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XODVUDQURWYFNW-UHFFFAOYSA-N
SpectraBase Compound ID L7cbdOPMZ5i
InChI InChI=1S/C13H14O3/c1-2-5-11(14)12-8-9-6-3-4-7-10(9)13(15)16-12/h3-4,6-8,11,14H,2,5H2,1H3
InChIKey XODVUDQURWYFNW-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mMld29tpAv
Name 3-(1-hydroxybutyl)-2-benzopyran-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-2-5-11(14)12-8-9-6-3-4-7-10(9)13(15)16-12/h3-4,6-8,11,14H,2,5H2,1H3
InChIKey XODVUDQURWYFNW-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES OC(C=1OC(c2c(C1)cccc2)=O)CCC
SPLASH splash10-004j-1910000000-fdebc180dd31c33cb92d
Source of Spectrum AH-134-1201-6
Synonyms 3-(1-hydroxybutyl)isochromen-1-one 3-(1-Hydroxybutyl)isocoumarin 3-(1-oxidanylbutyl)isochromen-1-one
Wiley ID 1546945