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phenylacetic acid, phenyl ester

View entire compound with spectra: 2 NMR, 2 FTIR, and 4 MS (GC)

phenylacetic acid, phenyl ester
SpectraBase Compound ID 3dAtMIfciFJ
InChI InChI=1S/C13H18O2/c1-2-3-7-10-15-13(14)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3
InChIKey LRVLBFSVAFUOGO-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 GlsIY0nHsno
Name Pentyl phenylacetate
Alternate Name(s) 2-Phenylacetic acid amyl ester 2-Phenylacetic acid pentyl ester Acetic acid, phenyl-, pentyl ester Amyl phenylacetate Benzeneacetic acid, pentyl ester N-Amyl phenylacetate Pentyl 2-phenylacetate Pentyl 2-phenylethanoate AI3-24154 EINECS 225-895-7 NSC 46135
CAS Registry Number 5137-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-2-3-7-10-15-13(14)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3
InChIKey LRVLBFSVAFUOGO-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES C(=O)(Cc1ccccc1)OCCCCC
SPLASH splash10-0006-9100000000-77bda100c867519cde47
Source of Spectrum LQ-1992-1161-0
Wiley ID 1204696