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2-(Acetylamino)ethyl 3-bromo-4-methyl-5-nitrobenzoate
SpectraBase Compound ID Gh2RIOttte2
InChI InChI=1S/C12H13BrN2O5/c1-7-10(13)5-9(6-11(7)15(18)19)12(17)20-4-3-14-8(2)16/h5-6H,3-4H2,1-2H3,(H,14,16)
InChIKey APENLKUBRRPOMS-UHFFFAOYSA-N
Mol Weight 345.15 g/mol
Molecular Formula C12H13BrN2O5
Exact Mass 344.000785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkGgEHnIedB
Name 2-(Acetylamino)ethyl 3-bromo-4-methyl-5-nitrobenzoate
CAS Registry Number 296274-43-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13BrN2O5
InChI InChI=1S/C12H13BrN2O5/c1-7-10(13)5-9(6-11(7)15(18)19)12(17)20-4-3-14-8(2)16/h5-6H,3-4H2,1-2H3,(H,14,16)
InChIKey APENLKUBRRPOMS-UHFFFAOYSA-N
Molecular Weight 345.149 g/mol
SMILES N(C(=O)C)CCOC(c1cc(N(=O)=O)c(c(Br)c1)C)=O
SPLASH splash10-000f-9100000000-0423ebd4dcf72585995d
Source of Spectrum AD-0-2532-0
Synonyms 2-Acetamidoethyl 3-bromanyl-4-methyl-5-nitro-benzoate 2-Acetamidoethyl 3-bromo-4-methyl-5-nitro-benzoate 3-Bromo-4-methyl-5-nitro-benzoic acid 2-acetamidoethyl ester Benzoic acid, 3-bromo-4-methyl-5-nitro-, 2-acetylaminoethyl ester 3-Bromo-4-methyl-5-nitrobenzoic acid 2-acetamidoethyl ester
Wiley ID 1420829