| SpectraBase Spectrum ID |
Cjipl37vCEU |
| Name |
1,4-Dimethyl-4A-phenyl-1,4,4A,5,6,7-hexahydro-1,4-epoxynaphthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.151415263 u |
| Formula |
C18H20O |
| InChI |
InChI=1S/C18H20O/c1-16-12-13-17(2,19-16)18(11-7-6-10-15(16)18)14-8-4-3-5-9-14/h3-5,8-10,12-13H,6-7,11H2,1-2H3/t16-,17+,18-/m1/s1 |
| InChIKey |
FPMHYYUVPZSBLH-FGTMMUONSA-N |
| Molecular Weight |
252.357 g/mol |
| SMILES |
[C@@]12([C@@]3(C(=CCCC3)[C@@](O1)(C)C=C2)C=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916254 |
