| SpectraBase Spectrum ID |
HnGFFs8mWqZ |
| Name |
1(3ah)-Pentalenone, 4,6A-dihydro-4-(1-naphthalenyl)-2,3-diphenyl-, (3A.alpha.,4.beta.,6A.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.167065327 u |
| Formula |
C30H22O |
| InChI |
InChI=1S/C30H22O/c31-30-26-19-18-25(24-17-9-15-20-10-7-8-16-23(20)24)29(26)27(21-11-3-1-4-12-21)28(30)22-13-5-2-6-14-22/h1-19,25-26,29H/t25-,26-,29+/m1/s1 |
| InChIKey |
XUCHFBOJVGQUOY-GEBXHLAXSA-N |
| Molecular Weight |
398.505 g/mol |
| SMILES |
C1(=C([C@]2([C@@](C3=C4C(C=CC=C4)=CC=C3)(C=C[C@]2(C1=O)[H])[H])[H])C1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898226 |
