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Phenylacetic acid, butyl ester

View entire compound with spectra: 3 NMR, 6 FTIR, 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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 98vnhbNLrie
Name Butyl phenylacetate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W220906
Lot Number 00412TE
CAS Registry Number 122-43-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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 192.258 g/mol
Purity >=98%
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_FF-FTIR_000345