| SpectraBase Spectrum ID |
3USsJJQaMui |
| Name |
3-{2-[1-(Benzyloxy)-1-methylethyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.189851919 u |
| Formula |
C21H34O4S2 |
| InChI |
InChI=1S/C21H34O4S2/c1-5-23-19(24-6-2)18(22)15-21(26-13-10-14-27-21)20(3,4)25-16-17-11-8-7-9-12-17/h7-9,11-12,18-19,22H,5-6,10,13-16H2,1-4H3 |
| InChIKey |
WRBIVNMRZUNBKK-UHFFFAOYSA-N |
| Molecular Weight |
414.619 g/mol |
| SMILES |
C(OCC)(OCC)C(CC1(SCCCS1)C(OCC=1C=CC=CC1)(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968015 |
![3-{2-[1-(Benzyloxy)-1-methylethyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-ol](/api/spectrum/3USsJJQaMui/structure.png?h=300&w=458 "3-{2-[1-(Benzyloxy)-1-methylethyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-ol")
