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butyric acid, phenethyl ester

View entire compound with spectra: 5 NMR, 7 FTIR, 1 UV-Vis, and 11 MS (GC)

butyric acid, phenethyl ester
SpectraBase Compound ID Ar5uolio7Hj
InChI InChI=1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChIKey WFNDDSQUKATKNX-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jaF9t52F4g
Name Butanoic acid, 2-phenylethyl ester
Alternate Name(s) Butyric acid, phenethyl ester .beta.-Phenethyl n-butanoate .beta.-Phenylethyl butyrate 2-Phenethyl butanoate 2-Phenylethyl butanoate Phenethyl butanoate 2-Phenylethyl butyrate Benzylcarbinyl butyrate Butyric acid phenethyl ester Phenethyl butyrate Phenylethyl butyrate Butanoic acid 2-phenylethyl ester AI3-02954 BRN 1955788 EINECS 203-119-8 FEMA NO. 2861 NSC 1271
CAS Registry Number 103-52-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChIKey WFNDDSQUKATKNX-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
SMILES C(=O)(OCCc1ccccc1)CCC
SPLASH splash10-0udi-3900000000-2c25ccf0e80aa306f7c4
Source of Spectrum VC-1981-953-0
Wiley ID 1188593