| SpectraBase Spectrum ID |
aEGDaovLyC |
| Name |
3-(phenylmethyl)-1,3-thiazepane-2,4-dione |
| Alternate Name(s) |
3-benzyl-1,3-thiazepane-2,4-dione
3-benzyl-1,3-thiazepane-2,4-quinone |
| CAS Registry Number |
138696-40-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13NO2S |
| InChI |
InChI=1S/C12H13NO2S/c14-11-7-4-8-16-12(15)13(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2 |
| InChIKey |
COUXFXBRDLTIDT-UHFFFAOYSA-N |
| Molecular Weight |
235.301 g/mol |
| SMILES |
C1(SCCCC(N1Cc1ccccc1)=O)=O |
| SPLASH |
splash10-0a4i-0090000000-51b92865e65b823c6f80 |
| Source of Spectrum |
U-1992-343-11 |
| Wiley ID |
763994 |
