| SpectraBase Spectrum ID |
3BuXt9vILnQ |
| Name |
12D-Methyl-4B,8B,12B-tris(propylsulfanyl)-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 |
516.197914681 u |
| Formula |
C32H36S3 |
| InChI |
InChI=1S/C32H36S3/c1-5-20-33-30-23-14-8-10-16-25(23)31(34-21-6-2)27-18-12-13-19-28(27)32(29(30,31)4,35-22-7-3)26-17-11-9-15-24(26)30/h8-19H,5-7,20-22H2,1-4H3/t29-,30-,31+,32- |
| InChIKey |
ICDVFLNVQYTFFQ-BWEICFOXSA-N |
| Molecular Weight |
516.820 g/mol |
| SMILES |
C12([C@]3(C=4C=CC=CC4[C@@]2(C=2C=CC=CC2[C@@]1(C=1C=CC=CC31)SCCC)SCCC)SCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939897 |
![12d-Methyl-4b,8b,12b-tris(propylsulfanyl)-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene](/api/spectrum/3BuXt9vILnQ/structure.png?h=300&w=458 "12d-Methyl-4b,8b,12b-tris(propylsulfanyl)-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene")
