| SpectraBase Spectrum ID |
L7EgfQLpeEk |
| Name |
(5S*,6R*)-5-(4-Methylbenzoyl)-6-methyl-6-p-tolyl-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester |
| Appearance |
Beige powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H24N4O3S |
| InChI |
InChI=1S/C23H24N4O3S/c1-5-30-22(29)18-21-27(26-24-18)25-23(4,17-12-8-15(3)9-13-17)20(31-21)19(28)16-10-6-14(2)7-11-16/h6-13,20,25H,5H2,1-4H3/t20-,23-/m1/s1 |
| InChIKey |
YPPXFUYQTJXUJO-NFBKMPQASA-N |
| Instrument Name |
GCMS-QP2010 Ultra |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2554 |
| Molecular Weight |
436.530 g/mol |
| SMILES |
N1[n]2c(S[C@@]([C@]1(c1ccc(cc1)C)C)(C(c1ccc(cc1)C)=O)[H])c(nn2)C(=O)OCC |
| SPLASH |
splash10-014i-2900000000-061e64f8010c7a9cb2bf |
| Source of Spectrum |
Y-54-143-8d |
| Wiley ID |
1877776 |
![(5S*,6R*)-5-(4-Methylbenzoyl)-6-methyl-6-p-tolyl-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester](/api/spectrum/L7EgfQLpeEk/structure.png?h=300&w=458 "(5S*,6R*)-5-(4-Methylbenzoyl)-6-methyl-6-p-tolyl-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester")
