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Phenylacetic acid, butyl ester

View entire compound with spectra: 3 NMR, 6 FTIR, 1 Raman, and 7 MS (GC)

Phenylacetic acid, butyl ester
SpectraBase Compound ID 6SNYkVPqRXA
InChI InChI=1S/C12H16O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChIKey LDOXTQYWWYXYSQ-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CPqViNveHgO
Name PHENYLACETIC ACID, BUTYL ESTER
Source of Sample Pfaltz & Bauer, Inc., Waterbury, Connecticut
Boiling Point 135-141C/18mm
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChIKey LDOXTQYWWYXYSQ-UHFFFAOYSA-N
Molecular Weight 192.26
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3
Synonyms ACETIC ACID, PHENYL-, BUTYL ESTER