| SpectraBase Spectrum ID |
3GmYAX857g |
| Name |
2-Phenyl-1,3-oxathiolan-5-one |
| CAS Registry Number |
1564-43-8 |
| Comments |
Original formula: C5[13C]4H11NO2; Note: The molecular formula of the structure shown is C9H8O2S - which differs from the formula reported for the mass spectrum (C5[13C]4H11NO2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H11NO2 |
| InChI |
InChI=1S/C9H8O2S/c10-8-6-12-9(11-8)7-4-2-1-3-5-7/h1-5,9H,6H2 |
| InChIKey |
CCPIXSCRYWRMSZ-UHFFFAOYSA-N |
| Molecular Weight |
180.221 g/mol |
| SMILES |
c1cccc(C2SCC(=O)O2)c1 |
| SPLASH |
splash10-0ktf-9300000000-1f5ce85579d6dc88812f |
| Synonyms |
1,3-Oxathiolan-5-one, 2-phenyl- |
| Wiley ID |
1488809 |
