| SpectraBase Spectrum ID |
1n5x6IAlicC |
| Name |
OXYCARBOXINE |
| CAS Registry Number |
5259-88-1 |
| 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 |
267.056529073 u |
| Formula |
C12H13NO4S |
| InChI |
InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14) |
| InChIKey |
AMEKQAFGQBKLKX-UHFFFAOYSA-N |
| Molecular Weight |
267.299 g/mol |
| Nominal Mass |
267 u |
| Number of Peaks |
92 |
| SMILES |
N(c1ccccc1)C(C1=C(C)OCCS1(=O)=O)=O |
| SPLASH |
splash10-002f-9720000000-6e373abb878a9c3f3b16 |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiin-3-carboxamide 4,4-dioxide |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_3455 |
