| SpectraBase Spectrum ID |
H9SkSCYK3Xk |
| Name |
12D..beta.-Methyl-4B.beta,8B.beta,12B..beta.-tris(ethylsulfanyl)-4B,8B,12B,12D-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
474.150964488 u |
| Formula |
C29H30S3 |
| InChI |
InChI=1S/C29H30S3/c1-5-30-27-20-14-8-10-16-22(20)28(31-6-2)24-18-12-13-19-25(24)29(32-7-3,26(27,28)4)23-17-11-9-15-21(23)27/h8-19H,5-7H2,1-4H3/t26-,27-,28+,29- |
| InChIKey |
PHXZLQNKJKSBHV-SVBXLRLBSA-N |
| Molecular Weight |
474.739 g/mol |
| SMILES |
C12([C@]3(C=4C=CC=CC4[C@@]2(C=2C=CC=CC2[C@@]1(C=1C=CC=CC31)SCC)SCC)SCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905774 |
![12d..beta.-Methyl-4b.beta,8b.beta,12b..beta.-tris(ethylsulfanyl)-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene](/api/spectrum/H9SkSCYK3Xk/structure.png?h=300&w=458 "12d..beta.-Methyl-4b.beta,8b.beta,12b..beta.-tris(ethylsulfanyl)-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene")
