| SpectraBase Spectrum ID |
CVDYqt6GX7K |
| Name |
CARBOXINE |
| CAS Registry Number |
5234-68-4 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
235.066699835 u |
| Formula |
C12H13NO2S |
| InChI |
InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14) |
| InChIKey |
GYSSRZJIHXQEHQ-UHFFFAOYSA-N |
| Molecular Weight |
235.301 g/mol |
| Nominal Mass |
235 u |
| Number of Peaks |
74 |
| SMILES |
N(c1ccccc1)C(C1=C(C)OCCS1)=O |
| SPLASH |
splash10-000f-9420000000-599c2908d38d8de249be |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiin-3-carboxamide
5,6-dihydro-2-methyl-1,4-oxathiine-3-carboxanilide
5,6-dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_3333 |
