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4-Nitrophthalamide
SpectraBase Compound ID BeoINpvpgL1
InChI InChI=1S/C8H7N3O4/c9-7(12)5-2-1-4(11(14)15)3-6(5)8(10)13/h1-3H,(H2,9,12)(H2,10,13)
InChIKey XWCDSCYRIROFIO-UHFFFAOYSA-N
Mol Weight 209.16 g/mol
Molecular Formula C8H7N3O4
Exact Mass 209.043656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GxETc2j5l9X
Name 4-Nitrophthalamide
Alternate Name(s) 1,2-Benzenedicarboxamide, 4-nitro- 4-nitrobenzene-1,2-dicarboxamide 4-Nitrophthaldiamide EINECS 236-070-6 NSC 94821
CAS Registry Number 13138-53-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7N3O4
InChI InChI=1S/C8H7N3O4/c9-7(12)5-2-1-4(11(14)15)3-6(5)8(10)13/h1-3H,(H2,9,12)(H2,10,13)
InChIKey XWCDSCYRIROFIO-UHFFFAOYSA-N
Molecular Weight 209.161 g/mol
SMILES NC(c1c(C(N)=O)ccc(c1)N(=O)=O)=O
SPLASH splash10-0006-0900000000-a46c70895253efe03ed9
Source of Spectrum J-55-2157-3
Wiley ID 1207869