| SpectraBase Spectrum ID |
4UQ8BcJrCW1 |
| Name |
3-Pentenoic acid, 4-(phenylthio)-2,2-dipropyl-, butyl ester, (E)- |
| CAS Registry Number |
88088-09-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O2S |
| InChI |
InChI=1S/C21H32O2S/c1-5-8-16-23-20(22)21(14-6-2,15-7-3)17-18(4)24-19-12-10-9-11-13-19/h9-13,17H,5-8,14-16H2,1-4H3/b18-17+ |
| InChIKey |
WZBYSRYYKQXCAF-ISLYRVAYSA-N |
| Molecular Weight |
348.545 g/mol |
| SMILES |
C(\C=C/(Sc1ccccc1)C)(C(=O)OCCCC)(CCC)CCC |
| SPLASH |
splash10-0002-0090000000-538bc49ab2ac37c8a6eb |
| Source of Spectrum |
KC-1986-1956-39 |
| Wiley ID |
1340810 |
