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Heptanoic acid, 6-hydroxy-, phenyl ester

View entire compound with spectra: 2 MS (GC)

Heptanoic acid, 6-hydroxy-, phenyl ester
SpectraBase Compound ID GGP916ELIiS
InChI InChI=1S/C13H18O3/c1-11(14)7-5-6-10-13(15)16-12-8-3-2-4-9-12/h2-4,8-9,11,14H,5-7,10H2,1H3
InChIKey WCZSOHFKFSAESD-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jm4BAWI2SwJ
Name Heptanoic acid, 6-hydroxy-, phenyl ester
Alternate Name(s) 6-Hydroxyenanthic acid phenyl ester 6-Hydroxyheptanoic acid phenyl ester Phenyl 6-hydroxyheptanoate phenyl 6-oxidanylheptanoate
CAS Registry Number 166273-40-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-11(14)7-5-6-10-13(15)16-12-8-3-2-4-9-12/h2-4,8-9,11,14H,5-7,10H2,1H3
InChIKey WCZSOHFKFSAESD-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES OC(CCCCC(Oc1ccccc1)=O)C
SPLASH splash10-002f-9300000000-76ea51ea0701c6e2fdd4
Wiley ID 1490694