| SpectraBase Spectrum ID |
8T8l3O7XTPv |
| Name |
Benzene, 1-methyl-4-[(1,2,3-triphenylcyclopropyl)sulfinyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.154786566 u |
| Formula |
C28H24OS |
| InChI |
InChI=1S/C28H24OS/c1-21-17-19-25(20-18-21)30(29)28(24-15-9-4-10-16-24)26(22-11-5-2-6-12-22)27(28)23-13-7-3-8-14-23/h2-20,26-27H,1H3 |
| InChIKey |
APWRMHJTPRWEHL-UHFFFAOYSA-N |
| Molecular Weight |
408.559 g/mol |
| SMILES |
C1(S(=O)C2=CC=C(C=C2)C)(C(C2=CC=CC=C2)C1C1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832547 |
![Benzene, 1-methyl-4-[(1,2,3-triphenylcyclopropyl)sulfinyl]-](/api/spectrum/8T8l3O7XTPv/structure.png?h=300&w=458 "Benzene, 1-methyl-4-[(1,2,3-triphenylcyclopropyl)sulfinyl]-")
