| SpectraBase Spectrum ID |
7H2OBIyPKy2 |
| Name |
(1S*,4R*,6S*,7S*)-4-Benzyloxymethyl-5-isopropylidene-7-phenyl-3-oxabicyclo[4.1.0]-heptane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.193280075 u |
| Formula |
C23H26O2 |
| InChI |
InChI=1S/C23H26O2/c1-16(2)21-20(15-24-13-17-9-5-3-6-10-17)25-14-19-22(23(19)21)18-11-7-4-8-12-18/h3-12,19-20,22-23H,13-15H2,1-2H3/t19-,20-,22-,23+/m0/s1 |
| InChIKey |
RDMVWIYCJXOKRS-BAMDZGJYSA-N |
| Molecular Weight |
334.459 g/mol |
| SMILES |
C1[C@@]2([C@]([C@]2(C2=CC=CC=C2)[H])([H])C(=C(C)C)[C@@](O1)(COCC1=CC=CC=C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815038 |
![(1S*,4R*,6S*,7S*)-4-Benzyloxymethyl-5-isopropylidene-7-phenyl-3-oxabicyclo[4.1.0]-heptane](/api/spectrum/7H2OBIyPKy2/structure.png?h=300&w=458 "(1S*,4R*,6S*,7S*)-4-Benzyloxymethyl-5-isopropylidene-7-phenyl-3-oxabicyclo[4.1.0]-heptane")
