| SpectraBase Spectrum ID |
5VlQiGzccGW |
| Name |
(5S*,6R*)-5-(4-Methylbenzoyl)-6-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester |
| Appearance |
Light yellow powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22N4O4S |
| InChI |
InChI=1S/C22H22N4O4S/c1-4-30-22(28)18-21-26(25-23-18)24-17(14-9-11-16(29-3)12-10-14)20(31-21)19(27)15-7-5-13(2)6-8-15/h5-12,17,20,24H,4H2,1-3H3/t17-,20+/m1/s1 |
| InChIKey |
XYWJMUCFGSSXPD-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(c1ccc(cc1)OC)[H])(C(c1ccc(cc1)C)=O)[H])c(nn2)C(=O)OCC |
| SPLASH |
splash10-014i-4910000000-2b940e7b1b889b801fc9 |
| Source of Spectrum |
Y-54-141-7e |
| Wiley ID |
1877770 |
![(5S*,6R*)-5-(4-Methylbenzoyl)-6-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester](/api/spectrum/5VlQiGzccGW/structure.png?h=300&w=458 "(5S*,6R*)-5-(4-Methylbenzoyl)-6-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester")
