| SpectraBase Spectrum ID |
AsiMhpBMOdY |
| Name |
12D-Methyl-4B,8B,12B-tris(methylsulfanyl)-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 |
432.104014295 u |
| Formula |
C26H24S3 |
| InChI |
InChI=1S/C26H24S3/c1-23-24(27-2)17-11-5-7-13-19(17)25(23,28-3)21-15-9-10-16-22(21)26(23,29-4)20-14-8-6-12-18(20)24/h5-16H,1-4H3/t23-,24-,25+,26- |
| InChIKey |
SIPGNWQFSNUZCJ-BWBVDQRNSA-N |
| Molecular Weight |
432.658 g/mol |
| SMILES |
C12([C@]3(C=4C=CC=CC4[C@@]2(C=2C=CC=CC2[C@@]1(C=1C=CC=CC31)SC)SC)SC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94611 |
![12d-Methyl-4b,8b,12b-tris(methylsulfanyl)-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene](/api/spectrum/AsiMhpBMOdY/structure.png?h=300&w=458 "12d-Methyl-4b,8b,12b-tris(methylsulfanyl)-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene")
