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(5S*,6R*)-6-(4-Methoxyphenyl)-6-methyl-5-(4-ethoxybenzoyl)-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*)-6-(4-Methoxyphenyl)-6-methyl-5-(4-ethoxybenzoyl)-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester
SpectraBase Compound ID 1EaYa7a9T3T
InChI InChI=1S/C24H26N4O5S/c1-5-32-18-11-7-15(8-12-18)20(29)21-24(3,16-9-13-17(31-4)14-10-16)26-28-22(34-21)19(25-27-28)23(30)33-6-2/h7-14,21,26H,5-6H2,1-4H3/t21-,24-/m1/s1
InChIKey FAMKLKHFVDQSBB-ZJSXRUAMSA-N
Mol Weight 482.56 g/mol
Molecular Formula C24H26N4O5S
Exact Mass 482.162391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKNhN07ZAag
Name (5S*,6R*)-6-(4-Methoxyphenyl)-6-methyl-5-(4-ethoxybenzoyl)-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26N4O5S
InChI InChI=1S/C24H26N4O5S/c1-5-32-18-11-7-15(8-12-18)20(29)21-24(3,16-9-13-17(31-4)14-10-16)26-28-22(34-21)19(25-27-28)23(30)33-6-2/h7-14,21,26H,5-6H2,1-4H3/t21-,24-/m1/s1
InChIKey FAMKLKHFVDQSBB-ZJSXRUAMSA-N
Instrument Name GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2554
Molecular Weight 482.555 g/mol
SMILES N1[n]2c(S[C@@]([C@]1(c1ccc(cc1)OC)C)(C(c1ccc(cc1)OCC)=O)[H])c(nn2)C(=O)OCC
SPLASH splash10-0002-1900000000-ca5a21202f7a69c06ab5
Source of Spectrum Y-54-143-8h
Wiley ID 1877780