For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 73ANn3nwiMb
Name 4-BUTYLAMINO-3,5-DINITROBENZOIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 283.0801
SMILES N(CCCC)c1c(cc(C(O)=O)cc1N(=O)=O)N(=O)=O
SPLASH splash10-0006-9100000000-d16daff1c333ed93d72d
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany