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(3-nitrophenyl) 4-cyanobenzoate
SpectraBase Compound ID 7a6h8WgHAlh
InChI InChI=1S/C14H8N2O4/c15-9-10-4-6-11(7-5-10)14(17)20-13-3-1-2-12(8-13)16(18)19/h1-8H
InChIKey WJCXATSNKPAVIN-UHFFFAOYSA-N
Mol Weight 268.23 g/mol
Molecular Formula C14H8N2O4
Exact Mass 268.048407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5NizavmtRgQ
Name (3-nitrophenyl) 4-cyanobenzoate
Alternate Name(s) 4-cyanobenzoic acid (3-nitrophenyl) ester
CAS Registry Number 53327-06-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8N2O4
InChI InChI=1S/C14H8N2O4/c15-9-10-4-6-11(7-5-10)14(17)20-13-3-1-2-12(8-13)16(18)19/h1-8H
InChIKey WJCXATSNKPAVIN-UHFFFAOYSA-N
Molecular Weight 268.228 g/mol
SMILES c1(N(=O)=O)cc(OC(c2ccc(C#N)cc2)=O)ccc1
SPLASH splash10-000i-0900000000-a634625b9de5145d566e
Source of Spectrum W5-23863-0-0
Wiley ID 1271931