For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2lBtXMEdIJN
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 splash10-0aba-3900000000-7363887b62e9c43850a7
Source of Spectrum C-118-7727-3
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 759874