| SpectraBase Spectrum ID |
JPusREGK7O8 |
| Name |
2,3-bis(2-Isopropylphenyl)-2,3-bis(methylthio)-1,4-dithiane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.138685726 u |
| Formula |
C24H32S4 |
| InChI |
InChI=1S/C24H32S4/c1-17(2)19-11-7-9-13-21(19)23(25-5)24(26-6,28-16-15-27-23)22-14-10-8-12-20(22)18(3)4/h7-14,17-18H,15-16H2,1-6H3/t23-,24-/m1/s1 |
| InChIKey |
VIKYHXDFUBRASF-DNQXCXABSA-N |
| Molecular Weight |
448.760 g/mol |
| SMILES |
[C@@]1([C@@](C=2C(C(C)C)=CC=CC2)(SCCS1)SC)(C1=C(C(C)C)C=CC=C1)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936544 |
