| SpectraBase Spectrum ID |
LntnqumtqNk |
| Name |
(5S*,6R*)-5-Benzoyl-6-methyl-6-phenyl-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 |
C21H20N4O3S |
| InChI |
InChI=1S/C21H20N4O3S/c1-3-28-20(27)16-19-25(24-22-16)23-21(2,15-12-8-5-9-13-15)18(29-19)17(26)14-10-6-4-7-11-14/h4-13,18,23H,3H2,1-2H3/t18-,21-/m1/s1 |
| InChIKey |
GAEKFZMCWLPKKB-WIYYLYMNSA-N |
| Instrument Name |
GCMS-QP2010 Ultra |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2554 |
| Molecular Weight |
408.476 g/mol |
| SMILES |
N1[n]2c(S[C@@]([C@]1(c1ccccc1)C)(C(c1ccccc1)=O)[H])c(nn2)C(=O)OCC |
| SPLASH |
splash10-0aor-2901000000-8bec3c27714f4d710b32 |
| Source of Spectrum |
Y-54-142-8a |
| Wiley ID |
1877773 |
![(5S*,6R*)-5-Benzoyl-6-methyl-6-phenyl-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester](/api/spectrum/LntnqumtqNk/structure.png?h=300&w=458 "(5S*,6R*)-5-Benzoyl-6-methyl-6-phenyl-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester")
