![Benzene, [(4,4-dimethoxypentyl)sulfonyl]-](/api/spectrum/4q1RbU9wwXJ/structure.png?h=300&w=458 "Benzene, [(4,4-dimethoxypentyl)sulfonyl]-")
| SpectraBase Compound ID | I9VRmu4MVhv |
|---|---|
| InChI | InChI=1S/C13H20O4S/c1-13(16-2,17-3)10-7-11-18(14,15)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3 |
| InChIKey | SPNAKDPGNAVVSU-UHFFFAOYSA-N |
| Mol Weight | 272.36 g/mol |
| Molecular Formula | C13H20O4S |
| Exact Mass | 272.10823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4q1RbU9wwXJ |
|---|---|
| Name | Benzene, [(4,4-dimethoxypentyl)sulfonyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.108230294 u |
| Formula | C13H20O4S |
| InChI | InChI=1S/C13H20O4S/c1-13(16-2,17-3)10-7-11-18(14,15)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3 |
| InChIKey | SPNAKDPGNAVVSU-UHFFFAOYSA-N |
| SMILES | C=1(S(=O)(=O)CCCC(OC)(OC)C)C=CC=CC1 |