| SpectraBase Spectrum ID |
J4YdeneAdmX |
| Name |
(5S*,6R*)-5-(4-Methylbenzoyl)-6-methyl-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 |
C22H22N4O3S |
| InChI |
InChI=1S/C22H22N4O3S/c1-4-29-21(28)17-20-26(25-23-17)24-22(3,16-8-6-5-7-9-16)19(30-20)18(27)15-12-10-14(2)11-13-15/h5-13,19,24H,4H2,1-3H3/t19-,22-/m1/s1 |
| InChIKey |
NKGREHRJLSFCQP-DENIHFKCSA-N |
| Instrument Name |
GCMS-QP2010 Ultra |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2554 |
| Molecular Weight |
422.503 g/mol |
| SMILES |
N1[n]2c(S[C@@]([C@]1(c1ccccc1)C)(C(c1ccc(cc1)C)=O)[H])c(nn2)C(=O)OCC |
| SPLASH |
splash10-014i-4900000000-8ed3c67ac1fd11a16ed7 |
| Source of Spectrum |
Y-54-142-8b |
| Wiley ID |
1877774 |
![(5S*,6R*)-5-(4-Methylbenzoyl)-6-methyl-6-phenyl-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester](/api/spectrum/J4YdeneAdmX/structure.png?h=300&w=458 "(5S*,6R*)-5-(4-Methylbenzoyl)-6-methyl-6-phenyl-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester")
