| SpectraBase Spectrum ID |
4DIxmJp8Oq7 |
| Name |
(1R*,4R*,5S*,6S*)-6-Isopropyl-1-(2-phenylethyl)-4-phenyl-3-oxabicyclo[3.1.0]hexane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.198365456 u |
| Formula |
C22H26O |
| InChI |
InChI=1S/C22H26O/c1-16(2)19-20-21(18-11-7-4-8-12-18)23-15-22(19,20)14-13-17-9-5-3-6-10-17/h3-12,16,19-21H,13-15H2,1-2H3/t19-,20+,21-,22+/m0/s1 |
| InChIKey |
XWDYJHRMNSNUPT-LNRXMEIDSA-N |
| SMILES |
[C@]12([C@@]([C@](C3=CC=CC=C3)(OC1)[H])([C@@]2(C(C)C)[H])[H])CCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974199 |
![(1R*,4R*,5S*,6S*)-6-Isopropyl-1-(2-phenylethyl)-4-phenyl-3-oxabicyclo[3.1.0]hexane](/api/spectrum/4DIxmJp8Oq7/structure.png?h=300&w=458 "(1R*,4R*,5S*,6S*)-6-Isopropyl-1-(2-phenylethyl)-4-phenyl-3-oxabicyclo[3.1.0]hexane")
