| SpectraBase Spectrum ID |
3OvYMkGmqEr |
| Name |
3-{2-[1-(Benzyloxy)cyclohexyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.205501983 u |
| Formula |
C24H36O4S2 |
| InChI |
InChI=1S/C24H36O4S2/c1-3-26-22(27-4-2)21(25)18-24(29-16-11-17-30-24)23(14-9-6-10-15-23)28-19-20-12-7-5-8-13-20/h5,7-8,12-13,22H,3-4,6,9-11,14-19H2,1-2H3 |
| InChIKey |
VIWJVXVMIMQRSZ-UHFFFAOYSA-N |
| Molecular Weight |
452.668 g/mol |
| SMILES |
C(C(CC1(SCCCS1)C1(CCCCC1)OCC=1C=CC=CC1)=O)(OCC)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868857 |
![3-{2-[1-(Benzyloxy)cyclohexyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-one](/api/spectrum/3OvYMkGmqEr/structure.png?h=300&w=458 "3-{2-[1-(Benzyloxy)cyclohexyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-one")
