| SpectraBase Spectrum ID |
3l0TzrBFPU |
| Name |
(-)-(S)-3-Formylheptyl Methanesulfonate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.092580230 u |
| Formula |
C9H18O4S |
| InChI |
InChI=1S/C9H18O4S/c1-3-4-5-9(8-10)6-7-13-14(2,11)12/h8-9H,3-7H2,1-2H3/t9-/m0/s1 |
| InChIKey |
KTMWOOIVTSSWPU-VIFPVBQESA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo302438k |
| Molecular Weight |
222.299 g/mol |
| Optical Rotation |
[a]D20 = -6.87 (c = 1.0, CH2Cl2) |
| Quality |
207 |
| Reported Formula |
C9H18O4S |
| SMILES |
[C@@](CCOS(C)(=O)=O)(C=O)(CCCC)[H] |
| SPLASH |
splash10-056r-9000000000-480376d7a5d2b454afea |
| Source of Spectrum |
JOC-78-624-21a (DOI: 10.1021/jo302438k) |
| Wiley ID |
1911684 |
