| SpectraBase Spectrum ID |
75zNEvxJvwF |
| Name |
1,4-Methanonaphthalen-9-one, 1,2,3,4-tetrahydro-2,3-dimethyl-1,4-diphenyl-, (1.alpha.,2.alpha.,3.alpha.,4.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.167065327 u |
| Formula |
C25H22O |
| InChI |
InChI=1S/C25H22O/c1-17-18(2)25(20-13-7-4-8-14-20)22-16-10-9-15-21(22)24(17,23(25)26)19-11-5-3-6-12-19/h3-18H,1-2H3/t17-,18+,24+,25- |
| InChIKey |
MOUAPOZMJOLXRK-OZHUBHEGSA-N |
| Molecular Weight |
338.450 g/mol |
| SMILES |
[C@@]12(C([C@](C3=CC=CC=C3)([C@@]([C@@]1(C)[H])(C)[H])C1=C2C=CC=C1)=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899883 |
