| SpectraBase Spectrum ID |
IhpKHp7f4FX |
| Name |
Oxepane, 2,7-diphenyl-, trans-(.+-.)- |
| 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/c1-3-9-15(10-4-1)17-13-7-8-14-18(19-17)16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2/t17-,18-/m0/s1 |
| InChIKey |
HVJRQGNMFAJHPN-ROUUACIJSA-N |
| Molecular Weight |
252.357 g/mol |
| SMILES |
[C@]1(O[C@@](CCCC1)(C1=CC=CC=C1)[H])(C=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965702 |
