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Benzoic acid, 3-nitro-4-[(1-oxoheptyl)amino]-
SpectraBase Compound ID Hm8Xcs96BPb
InChI InChI=1S/C14H18N2O5/c1-2-3-4-5-6-13(17)15-11-8-7-10(14(18)19)9-12(11)16(20)21/h7-9H,2-6H2,1H3,(H,15,17)(H,18,19)
InChIKey GMJCKIRCUVAWIF-UHFFFAOYSA-N
Mol Weight 294.31 g/mol
Molecular Formula C14H18N2O5
Exact Mass 294.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KuNlNzWiVBB
Name Benzoic acid, 3-nitro-4-[(1-oxoheptyl)amino]-
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18N2O5
InChI InChI=1S/C14H18N2O5/c1-2-3-4-5-6-13(17)15-11-8-7-10(14(18)19)9-12(11)16(20)21/h7-9H,2-6H2,1H3,(H,15,17)(H,18,19)
InChIKey GMJCKIRCUVAWIF-UHFFFAOYSA-N
Molecular Weight 294.307 g/mol
SMILES N(C(CCCCCC)=O)c1ccc(C(O)=O)cc1[N+]([O-])=O
SPLASH splash10-06tf-9300000000-3c52cd515b59da0339b7
Source of Spectrum JX-2015-2-1404
Synonyms 4-Heptanamido-3-nitrobenzoic acid 4-(Heptanoylamino)-3-nitrobenzoic acid 3-Nitro-4-(1-oxoheptylamino)benzoic acid 4-(Heptanoylamino)-3-nitro-benzoic acid
Wiley ID 1723048