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o-benzoylbenzoic acid, butyl ester
SpectraBase Compound ID 1FkYi0o80kh
InChI InChI=1S/C18H18O3/c1-2-3-13-21-18(20)16-12-8-7-11-15(16)17(19)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3
InChIKey VMHKPGQWBDCKSM-UHFFFAOYSA-N
Mol Weight 282.34 g/mol
Molecular Formula C18H18O3
Exact Mass 282.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K7H4rs9k2Ho
Name o-BENZOYLBENZOIC ACID, BUTYL ESTER
Source of Sample Eastman Organic Chemicals, Rochester, New York
Boiling Point 222-224C/9mm
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O3
InChI InChI=1S/C18H18O3/c1-2-3-13-21-18(20)16-12-8-7-11-15(16)17(19)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3
InChIKey VMHKPGQWBDCKSM-UHFFFAOYSA-N
Molecular Weight 282.34
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, O-BENZOYL-, BUTYL ESTER