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2-Bromobenzyl 3,5-dinitrobenzoate
SpectraBase Compound ID CPDtqGbVYg0
InChI InChI=1S/C14H9BrN2O6/c15-13-4-2-1-3-9(13)8-23-14(18)10-5-11(16(19)20)7-12(6-10)17(21)22/h1-7H,8H2
InChIKey CIJWTVQRDVHOMF-UHFFFAOYSA-N
Mol Weight 381.14 g/mol
Molecular Formula C14H9BrN2O6
Exact Mass 379.964399 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANSQfw2IWk8
Name 2-Bromobenzyl 3,5-dinitrobenzoate
Alternate Name(s) (2-bromophenyl)methyl 3,5-dinitrobenzoate 3,5-Dinitrobenzoic acid (2-bromobenzyl) ester 3,5-Dinitrobenzoic acid (2-bromophenyl)methyl ester Benzoic acid, 3,5-dinitro-, 2-bromobenzyl ester
CAS Registry Number 309253-44-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9BrN2O6
InChI InChI=1S/C14H9BrN2O6/c15-13-4-2-1-3-9(13)8-23-14(18)10-5-11(16(19)20)7-12(6-10)17(21)22/h1-7H,8H2
InChIKey CIJWTVQRDVHOMF-UHFFFAOYSA-N
Molecular Weight 381.138 g/mol
SMILES c1ccc(COC(c2cc(N(=O)=O)cc(N(=O)=O)c2)=O)c(Br)c1
SPLASH splash10-0udj-8904000000-3c28750e1a91fdd57e90
Source of Spectrum AD-0-2532-0
Wiley ID 1431614