| SpectraBase Spectrum ID |
GNDZ4kaaDZa |
| Name |
4B.beta,8B.beta,12B..beta.-Triallyl-4B,8B,12B,12D..beta.-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 |
400.219100902 u |
| Formula |
C31H28 |
| InChI |
InChI=1S/C31H28/c1-4-19-29-22-13-7-9-15-24(22)30(20-5-2)26-17-11-12-18-27(26)31(21-6-3,28(29)30)25-16-10-8-14-23(25)29/h4-18,28H,1-3,19-21H2/t28-,29+,30-,31+ |
| InChIKey |
TVSCKGMIBFAJDC-UTMDYKGZSA-N |
| Molecular Weight |
400.565 g/mol |
| SMILES |
[C@]12(C3[C@](C=4C=CC=CC4[C@]3(CC=C)C3=C1C=CC=C3)(CC=C)C1=C2C=CC=C1)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947837 |
![4b.beta,8b.beta,12b..beta.-Triallyl-4b,8b,12b,12d..beta.-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene](/api/spectrum/GNDZ4kaaDZa/structure.png?h=300&w=458 "4b.beta,8b.beta,12b..beta.-Triallyl-4b,8b,12b,12d..beta.-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene")
