| SpectraBase Spectrum ID |
17v837GrVUm |
| Name |
(5S*,6R*)-6-(4-Methoxyphenyl)-6-methyl-5-(4-methylbenzoyl)-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester |
| Appearance |
Pale yellow powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H24N4O4S |
| InChI |
InChI=1S/C23H24N4O4S/c1-5-31-22(29)18-21-27(26-24-18)25-23(3,16-10-12-17(30-4)13-11-16)20(32-21)19(28)15-8-6-14(2)7-9-15/h6-13,20,25H,5H2,1-4H3/t20-,23-/m1/s1 |
| InChIKey |
AVQSIGINFXKERA-NFBKMPQASA-N |
| Instrument Name |
GCMS-QP2010 Ultra |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2554 |
| Molecular Weight |
452.529 g/mol |
| SMILES |
N1[n]2c(S[C@@]([C@]1(c1ccc(cc1)OC)C)(C(c1ccc(cc1)C)=O)[H])c(nn2)C(=O)OCC |
| SPLASH |
splash10-015d-3900000000-9f0d0e26b5c21cf0b82f |
| Source of Spectrum |
Y-54-143-8g |
| Wiley ID |
1877779 |
![(5S*,6R*)-6-(4-Methoxyphenyl)-6-methyl-5-(4-methylbenzoyl)-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester](/api/spectrum/17v837GrVUm/structure.png?h=300&w=458 "(5S*,6R*)-6-(4-Methoxyphenyl)-6-methyl-5-(4-methylbenzoyl)-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester")
