| SpectraBase Spectrum ID |
8JZxk6Of3Me |
| Name |
4-Thiazolidinecarboxylicacid,2-(p-tolyl)- |
| CAS Registry Number |
67189-37-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
223.066699835 u |
| Formula |
C11H13NO2S |
| InChI |
InChI=1S/C11H13NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-5,9-10,12H,6H2,1H3,(H,13,14)/t9-,10-/m0/s1 |
| InChIKey |
HTRWLFRKMUVNPG-UWVGGRQHSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
223.290 g/mol |
| Nominal Mass |
223 u |
| Quality |
958 |
| Retention Index |
1664 |
| SMILES |
OC([C@]1(N[C@](C=2C=CC(=CC2)C)(SC1)[H])[H])=O |
| SPLASH |
splash10-0a4i-6910000000-51af159b129a18fa4df2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2S,4R)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032426 |
