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2-Methyl-2-(2-nitro-4-[(4-nitrophenyl)sulfonyl]anilino)-1,3-propanediol
SpectraBase Compound ID 2S3F0Q12LUS
InChI InChI=1S/C16H17N3O8S/c1-16(9-20,10-21)17-14-7-6-13(8-15(14)19(24)25)28(26,27)12-4-2-11(3-5-12)18(22)23/h2-8,17,20-21H,9-10H2,1H3
InChIKey RTUJBBQZKCHOPY-UHFFFAOYSA-N
Mol Weight 411.39 g/mol
Molecular Formula C16H17N3O8S
Exact Mass 411.073636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDj0B6h66Gc
Name 2-Methyl-2-(2-nitro-4-[(4-nitrophenyl)sulfonyl]anilino)-1,3-propanediol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N3O8S
InChI InChI=1S/C16H17N3O8S/c1-16(9-20,10-21)17-14-7-6-13(8-15(14)19(24)25)28(26,27)12-4-2-11(3-5-12)18(22)23/h2-8,17,20-21H,9-10H2,1H3
InChIKey RTUJBBQZKCHOPY-UHFFFAOYSA-N
Molecular Weight 411.385 g/mol
SMILES OCC(C)(CO)Nc1ccc(S(=O)(=O)c2ccc(N(=O)=O)cc2)cc1N(=O)=O
SPLASH splash10-0006-9401000000-17d590dfcb40ca14bc86
Source of Spectrum NP-14-6928-0
Synonyms 4-[[1,1-Bis(hydroxymethyl)ethyl]amino]-3,4'-dinitrodiphenyl sulfone 2-Methyl-2-[2-nitro-4-(4-nitrophenyl)sulfonylanilino]propane-1,3-diol 2-Methyl-2-[2-nitro-4-(4-nitrophenyl)sulfonyl-anilino]propane-1,3-diol 2-Methyl-2-[[2-nitro-4-(4-nitrophenyl)sulfonyl-phenyl]amino]propane-1,3-diol
Wiley ID 1111925