| SpectraBase Spectrum ID |
IcYa2JvXr2s |
| Name |
(5S)-(4-Methylbenzoyl)-6,6-dimethyl-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 |
C17H20N4O3S |
| InChI |
InChI=1S/C17H20N4O3S/c1-5-24-16(23)12-15-21(20-18-12)19-17(3,4)14(25-15)13(22)11-8-6-10(2)7-9-11/h6-9,14,19H,5H2,1-4H3/t14-/m1/s1 |
| InChIKey |
SXWYOZVPZMZIMP-CQSZACIVSA-N |
| Instrument Name |
GCMS-QP2010 Ultra |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2554 |
| Molecular Weight |
360.432 g/mol |
| SMILES |
N1[n]2c(S[C@@](C1(C)C)(C(c1ccc(cc1)C)=O)[H])c(nn2)C(=O)OCC |
| SPLASH |
splash10-014i-5910000000-887e3eba1a0dc8b81da9 |
| Source of Spectrum |
Y-54-144-8j |
| Wiley ID |
1877782 |
![(5S)-(4-Methylbenzoyl)-6,6-dimethyl-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester](/api/spectrum/IcYa2JvXr2s/structure.png?h=300&w=458 "(5S)-(4-Methylbenzoyl)-6,6-dimethyl-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester")
