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Heptanoic acid, phenyl ester

View entire compound with spectra: 1 MS (GC)

Heptanoic acid, phenyl ester
SpectraBase Compound ID 2HypdPbNGYY
InChI InChI=1S/C13H18O2/c1-2-3-4-8-11-13(14)15-12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChIKey USVUMWSMZMQXIZ-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2P1WzWZH1U
Name Heptanoic acid, phenyl ester
Alternate Name(s) Phenyl heptanoate enanthic acid phenyl ester
CAS Registry Number 56052-14-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-2-3-4-8-11-13(14)15-12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChIKey USVUMWSMZMQXIZ-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES CCCCCCC(=O)Oc1ccccc1
SPLASH splash10-0006-9200000000-0f4cb9302dde74993d27
Source of Spectrum SD-1981-0-0
Wiley ID 1204620