| SpectraBase Spectrum ID |
3Txu9tOmF4l |
| Name |
(3as,6as)-3,6-Dibenzyl-1,3A,4,6A-tetrahydropentalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.172150708 u |
| Formula |
C22H22 |
| InChI |
InChI=1S/C22H22/c1-3-7-17(8-4-1)15-19-11-13-22-20(12-14-21(19)22)16-18-9-5-2-6-10-18/h1-12,21-22H,13-16H2/t21-,22-/m1/s1 |
| InChIKey |
HCVKKQGUDHPOBX-FGZHOGPDSA-N |
| Molecular Weight |
286.418 g/mol |
| SMILES |
C1(=CC=CC=C1)CC1=CC[C@]2([C@]1([H])CC=C2CC1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924287 |
