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Hexyl phenylacetate

View entire compound with spectra: 2 NMR, 3 FTIR, and 7 MS (GC)

Hexyl phenylacetate
SpectraBase Compound ID 94vt6RUdwB4
InChI InChI=1S/C14H20O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKey MTAHGWGAEGVCLS-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I5eJyfUD6W1
Name Benzeneacetic acid, hexyl ester
Alternate Name(s) 2-Phenylacetic acid hexyl ester Hexyl 2-phenylacetate Hexyl 2-phenylethanoate Hexyl phenylacetate n-Hexyl phenylacetate
CAS Registry Number 5421-17-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKey MTAHGWGAEGVCLS-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES c1cccc(CC(=O)OCCCCCC)c1
SPLASH splash10-0006-9200000000-abf523492e399ce981ce
Wiley ID 1491915