| SpectraBase Spectrum ID |
2sesUOncsmR |
| Name |
3-(4'- Dimethylaminophenyl)-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 |
C13H16N2OS2 |
| InChI |
InChI=1S/C13H16N2OS2/c1-14(2)10-5-7-11(8-6-10)15-12(16)4-3-9-18-13(15)17/h5-8H,3-4,9H2,1-2H3 |
| InChIKey |
QVGOWHDDXXXCOY-UHFFFAOYSA-N |
| Molecular Weight |
280.404 g/mol |
| SMILES |
C1(SCCCC(N1c1ccc(cc1)N(C)C)=O)=S |
| SPLASH |
splash10-004i-0910000000-f23c7a00c6859fd32694 |
| Source of Spectrum |
Y-36-1172-6 |
| Synonyms |
3-[4-(dimethylamino)phenyl]-2-thioxotetrahydro-1,3-thiazepin-4(5H)-one
3-[4-(dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazepan-4-one |
| Wiley ID |
762443 |
