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2-[4-(2-hydroxyethyl)-1-piperazinyl]-3,5-dinitrobenzoic acid
SpectraBase Compound ID Em76IYMfOmW
InChI InChI=1S/C13H16N4O7/c18-6-5-14-1-3-15(4-2-14)12-10(13(19)20)7-9(16(21)22)8-11(12)17(23)24/h7-8,18H,1-6H2,(H,19,20)
InChIKey NHUNQOYVQPNQDB-UHFFFAOYSA-N
Mol Weight 340.29 g/mol
Molecular Formula C13H16N4O7
Exact Mass 340.101899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AETnWH2nK2D
Name 2-[4-(2-hydroxyethyl)-1-piperazinyl]-3,5-dinitrobenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N4O7
InChI InChI=1S/C13H16N4O7/c18-6-5-14-1-3-15(4-2-14)12-10(13(19)20)7-9(16(21)22)8-11(12)17(23)24/h7-8,18H,1-6H2,(H,19,20)
InChIKey NHUNQOYVQPNQDB-UHFFFAOYSA-N
Molecular Weight 340.292 g/mol
SMILES OC(c1c(N2CCN(CCO)CC2)c(cc(c1)N(=O)=O)N(=O)=O)=O
SPLASH splash10-0a4i-4569000000-bd81374a92a3100e1f9c
Synonyms 2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3,5-dinitrobenzoate 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3,5-dinitro-benzoic acid 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3,5-dinitro-benzoate 2-[4-(2-hydroxyethyl)piperazino]-3,5-dinitro-benzoic acid
Wiley ID 1451403