| SpectraBase Spectrum ID |
69f99nDOJ9L |
| Name |
Methyl propyl 6-[3-(propylthiocarbonyl)benzyl]benzene-1-carboxylate-3-carboxythioic S-ester |
| Alternate Name(s) |
3-{[(methylsulfanyl)carbonyl]oxy}propyl 2-(3-butanethioylbenzyl)benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H26O4S2 |
| InChI |
InChI=1S/C23H26O4S2/c1-3-8-21(28)19-11-6-9-17(16-19)15-18-10-4-5-12-20(18)22(24)26-13-7-14-27-23(25)29-2/h4-6,9-12,16H,3,7-8,13-15H2,1-2H3 |
| InChIKey |
KXOZOKBOHPGHHE-UHFFFAOYSA-N |
| Molecular Weight |
430.577 g/mol |
| SMILES |
C(c1c(Cc2cc(C(=S)CCC)ccc2)cccc1)(=O)OCCCOC(=O)SC |
| SPLASH |
splash10-0a4i-0009000000-908903d7c9ef7441e9b3 |
| Source of Spectrum |
J-62-1787-2 |
| Wiley ID |
1381492 |
![Methyl propyl 6-[3-(propylthiocarbonyl)benzyl]benzene-1-carboxylate-3-carboxythioic S-ester](/api/spectrum/69f99nDOJ9L/structure.png?h=300&w=458 "Methyl propyl 6-[3-(propylthiocarbonyl)benzyl]benzene-1-carboxylate-3-carboxythioic S-ester")
