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Benzoic acid, 2-[(benzoyloxy)cyanomethyl]-, methyl ester
SpectraBase Compound ID GGTeGOupfZb
InChI InChI=1S/C17H13NO4/c1-21-17(20)14-10-6-5-9-13(14)15(11-18)22-16(19)12-7-3-2-4-8-12/h2-10,15H,1H3
InChIKey IVNZWQWFAYEITA-UHFFFAOYSA-N
Mol Weight 295.29 g/mol
Molecular Formula C17H13NO4
Exact Mass 295.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15Z5UmSIf5v
Name Benzoic acid, 2-[(benzoyloxy)cyanomethyl]-, methyl ester
Alternate Name(s) 2-Benzoyloxy-2-(2'-methoxycarbonylphenyl)-acetonitrile Methyl 2-[(benzoyloxy)(cyano)methyl]benzoate
CAS Registry Number 102349-09-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13NO4
InChI InChI=1S/C17H13NO4/c1-21-17(20)14-10-6-5-9-13(14)15(11-18)22-16(19)12-7-3-2-4-8-12/h2-10,15H,1H3
InChIKey IVNZWQWFAYEITA-UHFFFAOYSA-N
Molecular Weight 295.294 g/mol
SMILES C(OC(c1c(C(=O)OC)cccc1)C#N)(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-12ee134115ccd90041c7
Source of Spectrum F-41-2887-0
Wiley ID 1298232