| SpectraBase Spectrum ID |
ArVLKYTu6Gq |
| Name |
(5S*,6R*)-5-(4-Ethoxybenzoyl)-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 |
C22H22N4O4S |
| InChI |
InChI=1S/C22H22N4O4S/c1-3-29-16-12-10-15(11-13-16)19(27)20-17(14-8-6-5-7-9-14)24-26-21(31-20)18(23-25-26)22(28)30-4-2/h5-13,17,20,24H,3-4H2,1-2H3/t17-,20+/m1/s1 |
| InChIKey |
SGZIJYUZIVMXNZ-XLIONFOSSA-N |
| Instrument Name |
GCMS-QP2010 Ultra |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2554 |
| Molecular Weight |
438.502 g/mol |
| SMILES |
N1[n]2c(S[C@@]([C@]1(c1ccccc1)[H])(C(c1ccc(cc1)OCC)=O)[H])c(nn2)C(=O)OCC |
| SPLASH |
splash10-0fdk-1930000000-5cc854163af8fd71a62d |
| Source of Spectrum |
Y-54-141-7c |
| Wiley ID |
1877768 |
![(5S*,6R*)-5-(4-Ethoxybenzoyl)-6-phenyl-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester](/api/spectrum/ArVLKYTu6Gq/structure.png?h=300&w=458 "(5S*,6R*)-5-(4-Ethoxybenzoyl)-6-phenyl-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester")
