| SpectraBase Spectrum ID |
JCLyqFOQOjn |
| Name |
(5S*,6R*)-5-(4-Methoxybenzoyl)-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 |
C21H20N4O4S |
| InChI |
InChI=1S/C21H20N4O4S/c1-3-29-21(27)17-20-25(24-22-17)23-16(13-7-5-4-6-8-13)19(30-20)18(26)14-9-11-15(28-2)12-10-14/h4-12,16,19,23H,3H2,1-2H3/t16-,19+/m1/s1 |
| InChIKey |
MVAPRWIJBKQXKA-APWZRJJASA-N |
| Instrument Name |
GCMS-QP2010 Ultra |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2554 |
| Molecular Weight |
424.475 g/mol |
| SMILES |
N1[n]2c(S[C@@]([C@]1(c1ccccc1)[H])(C(c1ccc(cc1)OC)=O)[H])c(nn2)C(=O)OCC |
| SPLASH |
splash10-002r-6900000000-dc7a326fa259b5ba0b23 |
| Source of Spectrum |
Y-54-141-7b |
| Wiley ID |
1877767 |
![(5S*,6R*)-5-(4-Methoxybenzoyl)-6-phenyl-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester](/api/spectrum/JCLyqFOQOjn/structure.png?h=300&w=458 "(5S*,6R*)-5-(4-Methoxybenzoyl)-6-phenyl-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester")
