(1R,2R,5S)-2-(4-methoxyphenyl)-2-methyl-1-((R)-phenethoxy(m-tolyl)methyl)-3-oxabicyclo[3.1.0]hexane

SpectraBase Compound ID	KbB2L1K9gsF
InChI	InChI=1S/C29H32O3/c1-21-8-7-11-23(18-21)27(31-17-16-22-9-5-4-6-10-22)29-19-25(29)20-32-28(29,2)24-12-14-26(30-3)15-13-24/h4-15,18,25,27H,16-17,19-20H2,1-3H3/t25-,27-,28-,29-/m1/s1
InChIKey	ZLDCVMSBJQJZCB-YXINZVNLSA-N Google Search
Mol Weight	428.6 g/mol
Molecular Formula	C29H32O3
Exact Mass	428.235145 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	GQnPPd6vMvm
Name	(1R,2R,5S)-2-(4-Methoxyphenyl)-2-methyl-1-((R)-phenethoxy(m-tolyl)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	428.235144887 u
Formula	C29H32O3
InChI	InChI=1S/C29H32O3/c1-21-8-7-11-23(18-21)27(31-17-16-22-9-5-4-6-10-22)29-19-25(29)20-32-28(29,2)24-12-14-26(30-3)15-13-24/h4-15,18,25,27H,16-17,19-20H2,1-3H3/t25-,27-,28-,29-/m1/s1
InChIKey	ZLDCVMSBJQJZCB-YXINZVNLSA-N
Molecular Weight	428.572 g/mol
SMILES	[C@@]1([C@]2([C@](C2)(CO1)[H])[C@@](C1=CC=CC(=C1)C)(OCCC1=CC=CC=C1)[H])(C=1C=CC(=CC1)OC)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.843324