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Benzoicacid,butylester

View entire compound with spectra: 16 NMR, 8 FTIR, 1 Raman, 21 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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADBkkJIcZPy
Name Butyl benzoate
CAS Registry Number 136-60-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian CFT-20
Literature Reference P.A. Couperus, A.D. Clague, Org. Magn. Resonance 11, 590 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3