| SpectraBase Spectrum ID |
D3QlOWjbJDH |
| Name |
Methyl 6-(3,3-Dimethyl-1-butynylthio)-2-hexynoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O2S |
| InChI |
InChI=1S/C13H18O2S/c1-13(2,3)9-11-16-10-7-5-6-8-12(14)15-4/h5,7,10H2,1-4H3 |
| InChIKey |
APCSZYZMCQTWLB-UHFFFAOYSA-N |
| Molecular Weight |
238.345 g/mol |
| SMILES |
C(C#CCCCSC#CC(C)(C)C)(=O)OC |
| SPLASH |
splash10-03di-0930000000-e6328d57f9001d3dba8b |
| Source of Spectrum |
O1-62-270-3 |
| Synonyms |
methyl 6-[(3,3-dimethyl-1-butynyl)sulfanyl]-2-hexynoate |
| Wiley ID |
1592427 |
