| SpectraBase Spectrum ID |
3Yja3OQAQk5 |
| Name |
(5S)-Benzoyl-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 |
C16H18N4O3S |
| InChI |
InChI=1S/C16H18N4O3S/c1-4-23-15(22)11-14-20(19-17-11)18-16(2,3)13(24-14)12(21)10-8-6-5-7-9-10/h5-9,13,18H,4H2,1-3H3/t13-/m1/s1 |
| InChIKey |
QDKDCDHIIKWUKC-CYBMUJFWSA-N |
| Instrument Name |
GCMS-QP2010 Ultra |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2554 |
| Molecular Weight |
346.405 g/mol |
| SMILES |
N1[n]2c(S[C@@](C1(C)C)(C(c1ccccc1)=O)[H])c(nn2)C(=O)OCC |
| SPLASH |
splash10-0a4i-2910000000-27f075dab756420a96b5 |
| Source of Spectrum |
Y-54-143-8i |
| Wiley ID |
1877781 |
![(5S)-Benzoyl-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/3Yja3OQAQk5/structure.png?h=300&w=458 "(5S)-Benzoyl-6,6-dimethyl-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester")
