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1,3,4-Thiadiazole, 3-acetyl-2-(4,5-dimethoxy-2-nitrophenyl)-5-(3,4-dimethoxyphenyl)-2,3- dihydro-
SpectraBase Compound ID JSO6emkW1yM
InChI InChI=1S/C20H21N3O7S/c1-11(24)22-20(13-9-17(29-4)18(30-5)10-14(13)23(25)26)31-19(21-22)12-6-7-15(27-2)16(8-12)28-3/h6-10,20H,1-5H3
InChIKey XHJGMUPAWOMIFO-UHFFFAOYSA-N
Mol Weight 447.46 g/mol
Molecular Formula C20H21N3O7S
Exact Mass 447.110021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iNR2N7ciK6
Name 1,3,4-Thiadiazole, 3-acetyl-2-(4,5-dimethoxy-2-nitrophenyl)-5-(3,4-dimethoxyphenyl)-2,3- dihydro-
CAS Registry Number 87880-54-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N3O7S
InChI InChI=1S/C20H21N3O7S/c1-11(24)22-20(13-9-17(29-4)18(30-5)10-14(13)23(25)26)31-19(21-22)12-6-7-15(27-2)16(8-12)28-3/h6-10,20H,1-5H3
InChIKey XHJGMUPAWOMIFO-UHFFFAOYSA-N
Molecular Weight 447.462 g/mol
SMILES C1(N(N=C(S1)c1cc(OC)c(cc1)OC)C(=O)C)c1c(N(=O)=O)cc(c(c1)OC)OC
SPLASH splash10-001r-0908000000-1a9891b4f82c22019223
Source of Spectrum KC-1983-2014-0
Synonyms 3-Acetyl-2-(4,5-dimethoxy-2-nitrophenyl)-5-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3,4-thiadiazole 4-Acetyl-2-(3,4-dimethoxyphenyl)-5-(4,5-dimethoxy-2-nitrophenyl)-.delta.2-1,3,4-thiadiazoline
Wiley ID 1386889