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2,3,4,5,6-Pentafluorobenzyl 3-phenylpropanoate
SpectraBase Compound ID EuQtFnfxvDh
InChI InChI=1S/C16H11F5O2/c17-12-10(13(18)15(20)16(21)14(12)19)8-23-11(22)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey IMTGKJWRENJJDC-UHFFFAOYSA-N
Mol Weight 330.25 g/mol
Molecular Formula C16H11F5O2
Exact Mass 330.06792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANmvW4DX77p
Name 2,3,4,5,6-Pentafluorobenzyl 3-phenylpropanoate
CAS Registry Number 62434-95-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11F5O2
InChI InChI=1S/C16H11F5O2/c17-12-10(13(18)15(20)16(21)14(12)19)8-23-11(22)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey IMTGKJWRENJJDC-UHFFFAOYSA-N
Molecular Weight 330.254 g/mol
SMILES c1ccc(cc1)CCC(=O)OCc1c(c(c(c(c1F)F)F)F)F
SPLASH splash10-0a4i-3900000000-1fea98b3053e5b0e0199
Source of Spectrum W5-1989-6148-1
Synonyms (2,3,4,5,6-pentafluorophenyl)methyl 3-phenylpropanoate 3-Phenylpropanoic acid (2,3,4,5,6-pentafluorophenyl)methyl ester 3-Phenylpropionic acid (2,3,4,5,6-pentafluorobenzyl) ester Phenylpropionic acid pentafluorobenzyl ester [2,3,4,5,6-pentakis(fluoranyl)phenyl]methyl 3-phenylpropanoate
Wiley ID 1327597