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4-Chlorophenyl 2,4-dinitrobenzoate
SpectraBase Compound ID 52ptQQPOBwt
InChI InChI=1S/C13H7ClN2O6/c14-8-1-4-10(5-2-8)22-13(17)11-6-3-9(15(18)19)7-12(11)16(20)21/h1-7H
InChIKey GHZLAMDQZZBWFQ-UHFFFAOYSA-N
Mol Weight 322.66 g/mol
Molecular Formula C13H7ClN2O6
Exact Mass 321.999264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9s0l4fhqWhy
Name 4-Chlorophenyl 2,4-dinitrobenzoate
Alternate Name(s) 2,4-Dinitrobenzoic acid (4-chlorophenyl) ester
CAS Registry Number 139361-28-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H7ClN2O6
InChI InChI=1S/C13H7ClN2O6/c14-8-1-4-10(5-2-8)22-13(17)11-6-3-9(15(18)19)7-12(11)16(20)21/h1-7H
InChIKey GHZLAMDQZZBWFQ-UHFFFAOYSA-N
Molecular Weight 322.660 g/mol
SMILES c1(c(cc(N(=O)=O)cc1)N(=O)=O)C(Oc1ccc(Cl)cc1)=O
SPLASH splash10-0002-3900000000-7fa5043872e0ad083a36
Wiley ID 1458154