| SpectraBase Spectrum ID |
50ZlSECtPGG |
| Name |
1,3-benzothiazole-2-carboxylic acid trideuteriomethyl ester |
| Alternate Name(s) |
Trideuteriomethyl 1,3-benzothiazole-2-carboxylate |
| CAS Registry Number |
116274-48-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H4D3NO2S |
| InChI |
InChI=1S/C9H7NO2S/c1-12-9(11)8-10-6-4-2-3-5-7(6)13-8/h2-5H,1H3/i1D3 |
| InChIKey |
NGYIWFTZUHRKSF-FIBGUPNXSA-N |
| Molecular Weight |
196.238 g/mol |
| SMILES |
c1(nc2ccccc2s1)C(=O)OC([2D])([2D])[2D] |
| SPLASH |
splash10-000i-0900000000-acda358e7e06b786b14d |
| Source of Spectrum |
Y-24-1684-5 |
| Wiley ID |
1189440 |
