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Heptanoic acid, 6-oxo-, phenyl ester
SpectraBase Compound ID FkeMCSkFH6V
InChI InChI=1S/C13H16O3/c1-11(14)7-5-6-10-13(15)16-12-8-3-2-4-9-12/h2-4,8-9H,5-7,10H2,1H3
InChIKey NTXHLCNEZRVTJK-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8QzlKqYmfr
Name HEPTANOIC ACID, 6-OXO-, PHENYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-11(14)7-5-6-10-13(15)16-12-8-3-2-4-9-12/h2-4,8-9H,5-7,10H2,1H3
InChIKey NTXHLCNEZRVTJK-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 220.1095
SMILES c1cccc(OC(CCCCC(C)=O)=O)c1
SPLASH splash10-0006-9300000000-bc0eca8ce60399ebdd6b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany