| SpectraBase Compound ID | KXOlvvpcgju |
|---|---|
| InChI | InChI=1S/C18H28O6S/c19-25-16-4-5-17-18(25)6-2-1-3-7-20-8-9-21-10-11-22-12-13-23-14-15-24-17/h1-3,6H,4-5,7-16H2/b3-1-,6-2- |
| InChIKey | DHCATUQNECAVIV-SJDXMKNESA-N |
| Mol Weight | 372.48 g/mol |
| Molecular Formula | C18H28O6S |
| Exact Mass | 372.16066 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BF1VqYU37jv |
|---|---|
| Name | 2H,18H-5,8,11,14,17,1-Benzopentaoxathiacycloeicosin, 3,4,6,7,9,10,12,13,15,16-decahydro-, 1-oxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.160659790 u |
| Formula | C18H28O6S |
| InChI | InChI=1S/C18H28O6S/c19-25-16-4-5-17-18(25)6-2-1-3-7-20-8-9-21-10-11-22-12-13-23-14-15-24-17/h1-3,6H,4-5,7-16H2/b3-1-,6-2- |
| InChIKey | DHCATUQNECAVIV-SJDXMKNESA-N |
| Molecular Weight | 372.476 g/mol |
| SMILES | C1=2S(=O)CCCC2OCCOCCOCCOCCOC\C=C/C=C\1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981282 |