| SpectraBase Spectrum ID |
Gbo3KjZX32I |
| Name |
PHENTOATE |
| CAS Registry Number |
2597-03-7 |
| 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 |
320.030588369 u |
| Formula |
C12H17O4PS2 |
| InChI |
InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3 |
| InChIKey |
XAMUDJHXFNRLCY-UHFFFAOYSA-N |
| Molecular Weight |
320.358 g/mol |
| Nominal Mass |
320 u |
| Number of Peaks |
78 |
| SMILES |
CCOC(C(c1ccccc1)SP(OC)(OC)=S)=O |
| SPLASH |
splash10-00fr-8690000000-9169e14b99a94fd9352b |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
ethyl [(dimethoxyphosphorothioyl)sulfanyl](phenyl)acetate |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_4318 |
