| SpectraBase Spectrum ID |
DARZu1ksjoJ |
| Name |
3,6,9,12,18-Pentaoxa-16-thiabicyco[12.3.1]octadecans 16,16-dioxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.108624215 u |
| Formula |
C12H22O7S |
| InChI |
InChI=1S/C12H22O7S/c13-20(14)9-11-7-17-5-3-15-1-2-16-4-6-18-8-12(10-20)19-11/h11-12H,1-10H2/t11-,12+ |
| InChIKey |
NIDFKXRPXCELJJ-TXEJJXNPSA-N |
| Molecular Weight |
310.361 g/mol |
| SMILES |
C1S(C[C@@]2(COCCOCCOCCOC[C@]1(O2)[H])[H])(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987705 |
![3,6,9,12,18-Pentaoxa-16-thiabicyco[12.3.1]octadecans 16,16-dioxide](/api/spectrum/DARZu1ksjoJ/structure.png?h=300&w=458 "3,6,9,12,18-Pentaoxa-16-thiabicyco[12.3.1]octadecans 16,16-dioxide")
