| SpectraBase Spectrum ID |
FkfeBNQ81H6 |
| Name |
3-Methyl-3-(1,3-dithian-2-yl)butanoic acid |
| Alternate Name(s) |
3-(1,3-dithian-2-yl)-3-methylbutanoic acid |
| CAS Registry Number |
90605-58-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H16O2S2 |
| InChI |
InChI=1S/C9H16O2S2/c1-9(2,6-7(10)11)8-12-4-3-5-13-8/h8H,3-6H2,1-2H3,(H,10,11) |
| InChIKey |
ACZPBAQVJACCQV-UHFFFAOYSA-N |
| Molecular Weight |
220.345 g/mol |
| SMILES |
OC(CC(C1SCCCS1)(C)C)=O |
| SPLASH |
splash10-014i-0910000000-49b8b631f39b564ead0b |
| Source of Spectrum |
J-49-2686-0 |
| Wiley ID |
1219337 |
