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(5S*,6R*)-6-(3,4-Dimethoxyphenyl)-5-(4-methoxybenzoyl)-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-(3,4-Dimethoxyphenyl)-5-(4-methoxybenzoyl)-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester
SpectraBase Compound ID ITqSGP5Vy9U
InChI InChI=1S/C23H24N4O6S/c1-5-33-23(29)19-22-27(26-24-19)25-18(14-8-11-16(31-3)17(12-14)32-4)21(34-22)20(28)13-6-9-15(30-2)10-7-13/h6-12,18,21,25H,5H2,1-4H3/t18-,21+/m1/s1
InChIKey QPAYRJHAPOHUHF-NQIIRXRSSA-N
Mol Weight 484.53 g/mol
Molecular Formula C23H24N4O6S
Exact Mass 484.141656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IX85414a7pk
Name (5S*,6R*)-6-(3,4-Dimethoxyphenyl)-5-(4-methoxybenzoyl)-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester
Appearance Light pink powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24N4O6S
InChI InChI=1S/C23H24N4O6S/c1-5-33-23(29)19-22-27(26-24-19)25-18(14-8-11-16(31-3)17(12-14)32-4)21(34-22)20(28)13-6-9-15(30-2)10-7-13/h6-12,18,21,25H,5H2,1-4H3/t18-,21+/m1/s1
InChIKey QPAYRJHAPOHUHF-NQIIRXRSSA-N
Instrument Name GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2554
Molecular Weight 484.527 g/mol
SMILES N1[n]2c(S[C@@]([C@]1(c1cc(c(cc1)OC)OC)[H])(C(c1ccc(cc1)OC)=O)[H])c(nn2)C(=O)OCC
SPLASH splash10-000i-2900000000-79a59370a301bbdfee6a
Source of Spectrum Y-54-142-7g
Wiley ID 1877772