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(5S*,6R*)-5-(4-Ethoxybenzoyl)-6-methyl-6-p-tolyl-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

(5S*,6R*)-5-(4-Ethoxybenzoyl)-6-methyl-6-p-tolyl-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester
SpectraBase Compound ID HrTfgnXXgCz
InChI InChI=1S/C24H26N4O4S/c1-5-31-18-13-9-16(10-14-18)20(29)21-24(4,17-11-7-15(3)8-12-17)26-28-22(33-21)19(25-27-28)23(30)32-6-2/h7-14,21,26H,5-6H2,1-4H3/t21-,24-/m1/s1
InChIKey WOPQWLWKTDSOCR-ZJSXRUAMSA-N
Mol Weight 466.56 g/mol
Molecular Formula C24H26N4O4S
Exact Mass 466.167477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZwPXBCxqnu
Name (5S*,6R*)-5-(4-Ethoxybenzoyl)-6-methyl-6-p-tolyl-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester
Appearance Beige powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26N4O4S
InChI InChI=1S/C24H26N4O4S/c1-5-31-18-13-9-16(10-14-18)20(29)21-24(4,17-11-7-15(3)8-12-17)26-28-22(33-21)19(25-27-28)23(30)32-6-2/h7-14,21,26H,5-6H2,1-4H3/t21-,24-/m1/s1
InChIKey WOPQWLWKTDSOCR-ZJSXRUAMSA-N
Instrument Name GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2554
Molecular Weight 466.556 g/mol
SMILES N1[n]2c(S[C@@]([C@]1(c1ccc(cc1)C)C)(C(c1ccc(cc1)OCC)=O)[H])c(nn2)C(=O)OCC
SPLASH splash10-000t-0900000000-f4fcd76ebe50892818cd
Source of Spectrum Y-54-143-8f
Wiley ID 1877778