| SpectraBase Spectrum ID |
KqrsA188w3s |
| Name |
(5S*,6R*)-6-(3,4-Dimethoxyphenyl)-5-(4-methylbenzoyl)-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 |
C23H24N4O5S |
| InChI |
InChI=1S/C23H24N4O5S/c1-5-32-23(29)19-22-27(26-24-19)25-18(15-10-11-16(30-3)17(12-15)31-4)21(33-22)20(28)14-8-6-13(2)7-9-14/h6-12,18,21,25H,5H2,1-4H3/t18-,21+/m1/s1 |
| InChIKey |
WUTQANCVWDKNHX-NQIIRXRSSA-N |
| Instrument Name |
GCMS-QP2010 Ultra |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2554 |
| Molecular Weight |
468.528 g/mol |
| SMILES |
N1[n]2c(S[C@@]([C@]1(c1cc(c(cc1)OC)OC)[H])(C(c1ccc(cc1)C)=O)[H])c(nn2)C(=O)OCC |
| SPLASH |
splash10-014l-6900000000-ea81690407f9362d8927 |
| Source of Spectrum |
Y-54-142-7f |
| Wiley ID |
1877771 |
![(5S*,6R*)-6-(3,4-Dimethoxyphenyl)-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/KqrsA188w3s/structure.png?h=300&w=458 "(5S*,6R*)-6-(3,4-Dimethoxyphenyl)-5-(4-methylbenzoyl)-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester")
