SpectraBase Spectrum ID |
DwiM9Kr3Mly |
Name |
2-[2-[(methylthio)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 |
Synonyms |
2-{2-[(methylsulfanyl)methyl]-3-butenyl}cycloheptanone |
Wiley ID |
1227526 |