| SpectraBase Spectrum ID |
25tFHCIVai7 |
| Name |
(3S,4S)-(E)-3,4-Diphenylcyclodeca-5-enone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.182715392 u |
| Formula |
C22H24O |
| InChI |
InChI=1S/C22H24O/c23-20-15-9-1-2-10-16-21(18-11-5-3-6-12-18)22(17-20)19-13-7-4-8-14-19/h3-8,10-14,16,21-22H,1-2,9,15,17H2/b16-10+/t21-,22-/m1/s1 |
| InChIKey |
BAIGVWKOKFWQPV-NCSHIYJNSA-N |
| Molecular Weight |
304.433 g/mol |
| SMILES |
[C@@]1([C@](\C=C\CCCCC(C1)=O)(C=1C=CC=CC1)[H])(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942139 |
