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4-Butylamino-3,5-dinitrobenzoic acid
SpectraBase Compound ID BqSdxt3BUwn
InChI InChI=1S/C11H13N3O6/c1-2-3-4-12-10-8(13(17)18)5-7(11(15)16)6-9(10)14(19)20/h5-6,12H,2-4H2,1H3,(H,15,16)
InChIKey MYVYIRGJUFAFHV-UHFFFAOYSA-N
Mol Weight 283.24 g/mol
Molecular Formula C11H13N3O6
Exact Mass 283.080435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qDJ2EbbKMW
Name 4-Butylamino-3,5-dinitrobenzoic acid
Alternate Name(s) 4-(butylamino)-3,5-dinitrobenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N3O6
InChI InChI=1S/C11H13N3O6/c1-2-3-4-12-10-8(13(17)18)5-7(11(15)16)6-9(10)14(19)20/h5-6,12H,2-4H2,1H3,(H,15,16)
InChIKey MYVYIRGJUFAFHV-UHFFFAOYSA-N
Molecular Weight 283.240 g/mol
SMILES OC(c1cc(c(c(c1)N(=O)=O)NCCCC)N(=O)=O)=O
SPLASH splash10-0006-9100000000-3431c2dca487694afe45
Wiley ID 1469719