| SpectraBase Spectrum ID |
KqBVUJG3bhZ |
| Name |
3,3'-Sulfonyldipropionic acid, dibutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.145009725 u |
| Formula |
C14H26O6S |
| InChI |
InChI=1S/C14H26O6S/c1-3-5-9-19-13(15)7-11-21(17,18)12-8-14(16)20-10-6-4-2/h3-12H2,1-2H3 |
| InChIKey |
VUUQFLLRJFDANW-UHFFFAOYSA-N |
| Molecular Weight |
322.416 g/mol |
| SMILES |
C(CC)COC(CCS(=O)(=O)CCC(OCCCC)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.910022 |
