5-((5R,5as,8R,9ar)-5,8-Dimethyloctahydrobenzo[D][1,3]dioxepin-2-yl)-2-methoxyphenol

SpectraBase Compound ID	5ZT0PjVthO5
InChI	InChI=1S/C18H26O4/c1-11-4-6-14-12(2)10-21-18(22-17(14)8-11)13-5-7-16(20-3)15(19)9-13/h5,7,9,11-12,14,17-19H,4,6,8,10H2,1-3H3/t11-,12+,14+,17-,18?/m1/s1
InChIKey	RGOJGXILLLHHRA-ZQFUBGSXSA-N Google Search
Mol Weight	306.4 g/mol
Molecular Formula	C18H26O4
Exact Mass	306.183109 g/mol

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SpectraBase Spectrum ID	KmUuB9oQMTf
Name	5-((5R,5as,8R,9ar)-5,8-Dimethyloctahydrobenzo[D][1,3]dioxepin-2-yl)-2-methoxyphenol
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	306.183109313 u
Formula	C18H26O4
InChI	InChI=1S/C18H26O4/c1-11-4-6-14-12(2)10-21-18(22-17(14)8-11)13-5-7-16(20-3)15(19)9-13/h5,7,9,11-12,14,17-19H,4,6,8,10H2,1-3H3/t11-,12+,14+,17-,18?/m1/s1
InChIKey	RGOJGXILLLHHRA-ZQFUBGSXSA-N
Molecular Weight	306.402 g/mol
SMILES	C=1(C(=CC=C(C1)C1OC[C@@]([C@]2([C@](O1)(C[C@@](CC2)(C)[H])[H])[H])(C)[H])OC)O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.875431