| SpectraBase Spectrum ID |
DFkkV6DeAtp |
| Name |
3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazepan-4-one |
| Alternate Name(s) |
3-(4-methoxyphenyl)-2-thioxo-1,3-thiazepan-4-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13NO2S2 |
| InChI |
InChI=1S/C12H13NO2S2/c1-15-10-6-4-9(5-7-10)13-11(14)3-2-8-17-12(13)16/h4-7H,2-3,8H2,1H3 |
| InChIKey |
VTUNEYVLLIPXKD-UHFFFAOYSA-N |
| Molecular Weight |
267.361 g/mol |
| SMILES |
C1(SCCCC(N1c1ccc(cc1)OC)=O)=S |
| SPLASH |
splash10-014i-0910000000-b72b0cefa8b5f79f042c |
| Source of Spectrum |
Y-36-1171-6 |
| Wiley ID |
762448 |
