| SpectraBase Spectrum ID |
Hzzlr9VIWvB |
| Name |
4B,8B,12B-Trichloro-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 |
382.008283519 u |
| Formula |
C22H13Cl3 |
| InChI |
InChI=1S/C22H13Cl3/c23-20-13-7-1-2-8-14(13)21(24)17-11-5-6-12-18(17)22(25,19(20)21)16-10-4-3-9-15(16)20/h1-12,19H/t19-,20-,21+,22- |
| InChIKey |
ZWIRLDZGCNCPLZ-STUVXCIXSA-N |
| Molecular Weight |
383.705 g/mol |
| SMILES |
C12[C@]3(C=4C=CC=CC4[C@@]2(C=2C=CC=CC2[C@@]1(C=1C=CC=CC31)Cl)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958804 |
![4b,8b,12b-Trichloro-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene](/api/spectrum/Hzzlr9VIWvB/structure.png?h=300&w=458 "4b,8b,12b-Trichloro-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene")
