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Benzoic acid, 2-(4,5-dicyano-2-nitrophenoxy)-, 1-methylethyl ester
SpectraBase Compound ID 556fnLbSMS8
InChI InChI=1S/C18H13N3O5/c1-11(2)25-18(22)14-5-3-4-6-16(14)26-17-8-13(10-20)12(9-19)7-15(17)21(23)24/h3-8,11H,1-2H3
InChIKey DCEVTTBQDKAKNB-UHFFFAOYSA-N
Mol Weight 351.32 g/mol
Molecular Formula C18H13N3O5
Exact Mass 351.085521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jmZDaWgWQD
Name Benzoic acid, 2-(4,5-dicyano-2-nitrophenoxy)-, 1-methylethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N3O5
InChI InChI=1S/C18H13N3O5/c1-11(2)25-18(22)14-5-3-4-6-16(14)26-17-8-13(10-20)12(9-19)7-15(17)21(23)24/h3-8,11H,1-2H3
InChIKey DCEVTTBQDKAKNB-UHFFFAOYSA-N
Molecular Weight 351.318 g/mol
SMILES CC(OC(=O)c1ccccc1Oc1cc(c(C#N)cc1N(=O)=O)C#N)C
SPLASH splash10-03dm-3390000000-1fe7744f3b2c9df45c74
Source of Spectrum IY-1-4307-4
Synonyms 2-(4,5-dicyano-2-nitrophenoxy)benzoic acid propan-2-yl ester Propan-2-yl 2-(4,5-dicyano-2-nitrophenoxy)benzoate isopropyl 2-(4,5-dicyano-2-nitro-phenoxy)benzoate Propan-2-yl 2-(4,5-dicyano-2-nitro-phenoxy)benzoate
Wiley ID 1651057