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3-(Dimethylamino)-1-(4-nitroanilino)-7-nitro-2-phenyl-1lambda4-4-benzothiazine
SpectraBase Compound ID 1L2FVU6gASF
InChI InChI=1S/C22H19N5O4S/c1-25(2)22-21(15-6-4-3-5-7-15)32(24-16-8-10-17(11-9-16)26(28)29)20-14-18(27(30)31)12-13-19(20)23-22/h3-14,24H,1-2H3
InChIKey AFXOZATUMGAUCT-UHFFFAOYSA-N
Mol Weight 449.49 g/mol
Molecular Formula C22H19N5O4S
Exact Mass 449.115775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wC76g8BU0C
Name 3-(Dimethylamino)-1-(4-nitroanilino)-7-nitro-2-phenyl-1lambda4-4-benzothiazine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19N5O4S
InChI InChI=1S/C22H19N5O4S/c1-25(2)22-21(15-6-4-3-5-7-15)32(24-16-8-10-17(11-9-16)26(28)29)20-14-18(27(30)31)12-13-19(20)23-22/h3-14,24H,1-2H3
InChIKey AFXOZATUMGAUCT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19871200512
Molecular Weight 449.485 g/mol
SMILES N(s1c(c(nc2ccc([N+](=O)[O-])cc12)N(C)C)-c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
SPLASH splash10-0019-0950000000-5b27364d48fe4f514a03
Source of Spectrum K-120-757-8
Synonyms N3,N3-dimethyl-7-nitro-N1-(4-nitrophenyl)-2-phenyl-1lambda4-benzo[b][1,4]thiazine-1,3-diamine
Wiley ID 1792974