| SpectraBase Spectrum ID |
9AucMjBqdM5 |
| Name |
2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazepan-4-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H10F3NOS2 |
| InChI |
InChI=1S/C12H10F3NOS2/c13-12(14,15)8-3-1-4-9(7-8)16-10(17)5-2-6-19-11(16)18/h1,3-4,7H,2,5-6H2 |
| InChIKey |
IZWCKDDOPRXNSW-UHFFFAOYSA-N |
| Molecular Weight |
305.333 g/mol |
| SMILES |
C1(N(C(CCCS1)=O)c1cc(C(F)(F)F)ccc1)=S |
| SPLASH |
splash10-0udi-0091000000-02ae7e98c6a0dc9f708a |
| Source of Spectrum |
Y-36-1171-6 |
| Synonyms |
2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazepan-4-one |
| Wiley ID |
762447 |
