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(2-oxidanylidenecyclohexyl) benzoate
SpectraBase Compound ID 22LX4O7QhpN
InChI InChI=1S/C13H14O3/c14-11-8-4-5-9-12(11)16-13(15)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2
InChIKey LEVSNIXDZWEGEC-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J19Nz1F8PzA
Name (2-oxidanylidenecyclohexyl) benzoate
Alternate Name(s) (2-oxocyclohexyl) benzoate benzoic acid (2-ketocyclohexyl) ester benzoic acid (2-oxocyclohexyl) ester
CAS Registry Number 7472-23-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c14-11-8-4-5-9-12(11)16-13(15)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2
InChIKey LEVSNIXDZWEGEC-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES C(OC1C(=O)CCCC1)(=O)c1ccccc1
SPLASH splash10-0a4i-0920000000-ee2bf52e1f09e29f8563
Source of Spectrum J-46-2719-0
Wiley ID 1217684