[(1R,2R,3R)-2,3-dibenzoxy-1-[(1S)-1-benzoxyallyl]pent-4-enoxy]methylbenzene

SpectraBase Compound ID	DpB44ClLW8a
InChI	InChI=1S/C36H38O4/c1-3-33(37-25-29-17-9-5-10-18-29)35(39-27-31-21-13-7-14-22-31)36(40-28-32-23-15-8-16-24-32)34(4-2)38-26-30-19-11-6-12-20-30/h3-24,33-36H,1-2,25-28H2/t33-,34+,35-,36-/m1/s1
InChIKey	PMLDCSYHQHSXNK-IYKITFJXSA-N Google Search
Mol Weight	534.7 g/mol
Molecular Formula	C36H38O4
Exact Mass	534.27701 g/mol

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SpectraBase Spectrum ID	6YacwO4JtFm
Name	[(1R,2R,3R)-2,3-Dibenzoxy-1-[(1S)-1-benzoxyallyl]pent-4-enoxy]methylbenzene
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	534.277009700 u
Formula	C36H38O4
InChI	InChI=1S/C36H38O4/c1-3-33(37-25-29-17-9-5-10-18-29)35(39-27-31-21-13-7-14-22-31)36(40-28-32-23-15-8-16-24-32)34(4-2)38-26-30-19-11-6-12-20-30/h3-24,33-36H,1-2,25-28H2/t33-,34+,35-,36-/m1/s1
InChIKey	PMLDCSYHQHSXNK-IYKITFJXSA-N
Molecular Weight	534.696 g/mol
SMILES	[C@]([C@](OCC=1C=CC=CC1)([C@@](OCC1=CC=CC=C1)(C=C)[H])[H])(OCC=1C=CC=CC1)([C@](OCC=1C=CC=CC1)(C=C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.935179