| SpectraBase Spectrum ID |
LMgBW1TDFtM |
| Name |
(E)-3-n-butylthio-1-(4-cyanophenyl)-2-undecen-1-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H31NOS |
| InChI |
InChI=1S/C22H31NOS/c1-3-5-7-8-9-10-11-21(25-16-6-4-2)17-22(24)20-14-12-19(18-23)13-15-20/h12-15,17H,3-11,16H2,1-2H3/b21-17+ |
| InChIKey |
HIIQMLCZXCTRCM-HEHNFIMWSA-N |
| Molecular Weight |
357.556 g/mol |
| SMILES |
C(\C=C/(SCCCC)CCCCCCCC)(c1ccc(C#N)cc1)=O |
| SPLASH |
splash10-0udi-0009000000-1384ce1a1fd2ba6ee0b1 |
| Source of Spectrum |
F-67-7858-39 |
| Wiley ID |
1691255 |
