| SpectraBase Spectrum ID |
K3sb91d8gRl |
| Name |
3-{2-[1-(Benzyloxy)heptyl]-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 |
470.252452176 u |
| Formula |
C25H42O4S2 |
| InChI |
InChI=1S/C25H42O4S2/c1-4-7-8-12-16-23(29-20-21-14-10-9-11-15-21)25(30-17-13-18-31-25)19-22(26)24(27-5-2)28-6-3/h9-11,14-15,22-24,26H,4-8,12-13,16-20H2,1-3H3 |
| InChIKey |
IZEDOUGBWLFECV-UHFFFAOYSA-N |
| Molecular Weight |
470.727 g/mol |
| SMILES |
C(C(CC1(SCCCS1)C(CCCCCC)OCC=1C=CC=CC1)O)(OCC)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861524 |
![3-{2-[1-(Benzyloxy)heptyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-ol](/api/spectrum/K3sb91d8gRl/structure.png?h=300&w=458 "3-{2-[1-(Benzyloxy)heptyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-ol")
