| SpectraBase Spectrum ID |
IKYZjtxeAKZ |
| Name |
2-(3,3-Dimethoxypropyl)-2-isopropyl-1,3-dithiane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.121772359 u |
| Formula |
C12H24O2S2 |
| InChI |
InChI=1S/C12H24O2S2/c1-10(2)12(15-8-5-9-16-12)7-6-11(13-3)14-4/h10-11H,5-9H2,1-4H3 |
| InChIKey |
LQGUJLGQUCOMIT-UHFFFAOYSA-N |
| Molecular Weight |
264.442 g/mol |
| SMILES |
C(OC)(CCC1(SCCCS1)C(C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952956 |
