| SpectraBase Spectrum ID |
DBP5BWQJBYJ |
| Name |
Heptanethioic acid, 5-formyl-6,6-dimethyl-, S-methyl ester |
| CAS Registry Number |
102108-81-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H20O2S |
| InChI |
InChI=1S/C11H20O2S/c1-11(2,3)9(8-12)6-5-7-10(13)14-4/h8-9H,5-7H2,1-4H3 |
| InChIKey |
VZLDGAFHWQZDJP-UHFFFAOYSA-N |
| Molecular Weight |
216.339 g/mol |
| SMILES |
C(=O)(SC)CCCC(C(C)(C)C)C=O |
| SPLASH |
splash10-052f-9200000000-85904fcbe5583eecb92b |
| Source of Spectrum |
J-51-2283-5 |
| Synonyms |
S-methyl 5-formyl-6,6-dimethylheptanethioate
S-methyl 5-tert-butyl-6-oxohexanethioate |
| Wiley ID |
1215296 |
