(1R,2R,5S)-1-((S)-(allyloxy)(phenyl)methyl)-2-(4-methoxyphenyl)-2-methyl-3-oxabicyclo[3.1.0]hexane

SpectraBase Compound ID	9Ltk9jmvwEp
InChI	InChI=1S/C23H26O3/c1-4-14-25-21(17-8-6-5-7-9-17)23-15-19(23)16-26-22(23,2)18-10-12-20(24-3)13-11-18/h4-13,19,21H,1,14-16H2,2-3H3/t19-,21+,22-,23-/m1/s1
InChIKey	HEUZMHSRAWONBX-CWKRKGSWSA-N Google Search
Mol Weight	350.46 g/mol
Molecular Formula	C23H26O3
Exact Mass	350.188195 g/mol

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SpectraBase Spectrum ID	5C4TjDm47wM
Name	(1R,2R,5S)-1-((S)-(Allyloxy)(phenyl)methyl)-2-(4-methoxyphenyl)-2-methyl-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	350.188194694 u
Formula	C23H26O3
InChI	InChI=1S/C23H26O3/c1-4-14-25-21(17-8-6-5-7-9-17)23-15-19(23)16-26-22(23,2)18-10-12-20(24-3)13-11-18/h4-13,19,21H,1,14-16H2,2-3H3/t19-,21+,22-,23-/m1/s1
InChIKey	HEUZMHSRAWONBX-CWKRKGSWSA-N
Molecular Weight	350.458 g/mol
SMILES	[C@@]1(C2=CC=C(C=C2)OC)(C)[C@@]2([C@](C=3C=CC=CC3)(OCC=C)[H])[C@](C2)(CO1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.896868