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Benzoicacid,butylester

View entire compound with spectra: 16 NMR, 8 FTIR, 1 Raman, 23 MS (GC), and 2 Near IR

Benzoicacid,butylester
SpectraBase Compound ID tfUibesPLb
InChI InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey XSIFPSYPOVKYCO-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGKnvDcCEWN
Name Benzoic acid, butyl ester
CAS Registry Number 136-60-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey XSIFPSYPOVKYCO-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES CCCCOC(=O)c1ccccc1
SPLASH splash10-0ab9-4900000000-af7d111595d78b474c7e
Source of Spectrum AA-0-1207-1
Synonyms Anthrapole AZ benzoic acid butyl ester Benzoic acid n-butyl ester Butyl benzoate Butyl ester of benzoic acid Butylester kyseliny benzoove DAI CARI XBN Hipochem B-3-M n-Butyl benzoate Marvanol Carrier BB AI3-00521 BRN 1867073 EINECS 205-252-7 HSDB 2089 NSC 8474
Wiley ID 17616