| SpectraBase Spectrum ID |
EjGkcRwHlhR |
| Name |
(Trans)-11,12,12A,12B,13,14-hexahydro-12A,12B-diphenyldibenzo[D,D']cyclobuta[1,2-A :4,3-A']dicycloheptene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.219100902 u |
| Formula |
C34H28 |
| InChI |
InChI=1S/C34H28/c1-3-15-29(16-4-1)33-21-19-25-11-7-9-13-27(25)23-31(33)32-24-28-14-10-8-12-26(28)20-22-34(32,33)30-17-5-2-6-18-30/h1-18,23-24H,19-22H2/t33-,34-/m0/s1 |
| InChIKey |
QMFQCPLIRFXOTJ-HEVIKAOCSA-N |
| Molecular Weight |
436.598 g/mol |
| SMILES |
[C@]12([C@@]3(CCC=4C=CC=CC4C=C3C2=CC=2C=CC=CC2CC1)C1=CC=CC=C1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891419 |
![(Trans)-11,12,12A,12B,13,14-hexahydro-12A,12B-diphenyldibenzo[D,D']cyclobuta[1,2-A :4,3-A']dicycloheptene](/api/spectrum/EjGkcRwHlhR/structure.png?h=300&w=458 "(Trans)-11,12,12A,12B,13,14-hexahydro-12A,12B-diphenyldibenzo[D,D']cyclobuta[1,2-A :4,3-A']dicycloheptene")
