| SpectraBase Spectrum ID |
9Zc977OvWBW |
| Name |
2-Propylthio-4-oxo-4H-1-benzothiin-3-carbaldehyde |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12O2S2 |
| InChI |
InChI=1S/C13H12O2S2/c1-2-7-16-13-10(8-14)12(15)9-5-3-4-6-11(9)17-13/h3-6,8H,2,7H2,1H3 |
| InChIKey |
CRQQAOBLSBFUFL-UHFFFAOYSA-N |
| Molecular Weight |
264.357 g/mol |
| SMILES |
C=1(Sc2c(C(C1C=O)=O)cccc2)SCCC |
| SPLASH |
splash10-0006-0900000000-acdc01518baa8e1b13d4 |
| Source of Spectrum |
SO-0-668-4 |
| Synonyms |
4-oxo-2-(propylsulfanyl)-4H-1-benzothiopyran-3-carbaldehyde |
| Wiley ID |
1543424 |
