| SpectraBase Spectrum ID |
DwiM9Kr3Mly |
| Name |
2-[2-[(methylthio)methyl]-3-butenyl]cycloheptanone |
| Alternate Name(s) |
2-{2-[(methylsulfanyl)methyl]-3-butenyl}cycloheptanone |
| CAS Registry Number |
83720-23-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H22OS |
| InChI |
InChI=1S/C13H22OS/c1-3-11(10-15-2)9-12-7-5-4-6-8-13(12)14/h3,11-12H,1,4-10H2,2H3 |
| InChIKey |
SOKFPRKIMVJCPO-UHFFFAOYSA-N |
| Molecular Weight |
226.378 g/mol |
| SMILES |
C1(C(CC(C=C)CSC)CCCCC1)=O |
| SPLASH |
splash10-03di-9020000000-e84f8a53b1db08fe6882 |
| Source of Spectrum |
J-48-22-0 |
| Wiley ID |
1227526 |
![2-[2-[(methylthio)methyl]-3-butenyl]cycloheptanone](/api/spectrum/DwiM9Kr3Mly/structure.png?h=300&w=458 "2-[2-[(methylthio)methyl]-3-butenyl]cycloheptanone")
