| SpectraBase Spectrum ID |
K8zzIgn5oTz |
| Name |
1(3ah)-Pentalenone, 4,6A-dihydro-4-(4-methylbenzoyl)-3-phenyl-, (3A.alpha.,4.alpha.,6A.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.130679818 u |
| Formula |
C22H18O2 |
| InChI |
InChI=1S/C22H18O2/c1-14-7-9-16(10-8-14)22(24)18-12-11-17-20(23)13-19(21(17)18)15-5-3-2-4-6-15/h2-13,17-18,21H,1H3/t17-,18+,21+/m0/s1 |
| InChIKey |
ILNLWEVXPUJUJI-WAOWUJCRSA-N |
| SMILES |
C=1([C@]2([C@@](C=C[C@@]2([H])C(C1)=O)(C(C1=CC=C(C=C1)C)=O)[H])[H])C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898802 |
