Hexahydro-6-(p-methoxyphenyl)-2,2,4-trimethyl-10-methylene-4,8-ethanobenzo[1,2-D : 4,5-D']-bis[1'',3'')-dioxole

SpectraBase Compound ID	ISj6od0rkii
InChI	InChI=1S/C21H26O5/c1-11-10-14-15-17(21(11,4)18-16(14)25-20(2,3)26-18)24-19(23-15)12-6-8-13(22-5)9-7-12/h6-9,14-19H,1,10H2,2-5H3/t14-,15+,16+,17+,18+,19-,21+/m0/s1
InChIKey	CIDNGBRJNFSPEF-JJZMNIDLSA-N Google Search
Mol Weight	358.43 g/mol
Molecular Formula	C21H26O5
Exact Mass	358.178024 g/mol

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SpectraBase Spectrum ID	A8yQSfrReqs
Name	Hexahydro-6-(p-methoxyphenyl)-2,2,4-trimethyl-10-methylene-4,8-ethanobenzo[1,2-D : 4,5-D']-bis[1'',3'')-dioxole
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	358.178023932 u
Formula	C21H26O5
InChI	InChI=1S/C21H26O5/c1-11-10-14-15-17(21(11,4)18-16(14)25-20(2,3)26-18)24-19(23-15)12-6-8-13(22-5)9-7-12/h6-9,14-19H,1,10H2,2-5H3/t14-,15+,16+,17+,18+,19-,21+/m0/s1
InChIKey	CIDNGBRJNFSPEF-JJZMNIDLSA-N
Molecular Weight	358.434 g/mol
SMILES	[C@]12([C@]3([C@](O[C@@](O3)(C3=CC=C(C=C3)OC)[H])([C@](CC2=C)([C@@]2([C@]1(OC(C)(C)O2)[H])[H])[H])[H])[H])C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.809798