3-[3-(p-Methoxybenzyloxy)-2-methylpropenyl]-1,5-anti-diisobutylbenzo[e]-1,3]dioxepane

SpectraBase Compound ID	DCvHe1mCfbF
InChI	InChI=1S/C29H40O4/c1-20(2)15-27-25-9-7-8-10-26(25)28(16-21(3)4)33-29(32-27)17-22(5)18-31-19-23-11-13-24(30-6)14-12-23/h7-14,17,20-21,27-29H,15-16,18-19H2,1-6H3/t27-,28-/m0/s1
InChIKey	XNPNAMRCDLSBIN-NSOVKSMOSA-N Google Search
Mol Weight	452.6 g/mol
Molecular Formula	C29H40O4
Exact Mass	452.29266 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	HpIsydPRPP
Name	3-[3-(p-Methoxybenzyloxy)-2-methylpropenyl]-1,5-anti-diisobutylbenzo[E]-1,3]dioxepane
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	452.292659764 u
Formula	C29H40O4
InChI	InChI=1S/C29H40O4/c1-20(2)15-27-25-9-7-8-10-26(25)28(16-21(3)4)33-29(32-27)17-22(5)18-31-19-23-11-13-24(30-6)14-12-23/h7-14,17,20-21,27-29H,15-16,18-19H2,1-6H3/t27-,28-/m0/s1
InChIKey	XNPNAMRCDLSBIN-NSOVKSMOSA-N
Molecular Weight	452.635 g/mol
SMILES	[C@@]1(OC(O[C@](C2=C1C=CC=C2)(CC(C)C)[H])C=C(COCC=1C=CC(=CC1)OC)C)(CC(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.842557