4-((6S,7S,10R)-7-Isopropyl-5,10-dimethyl-1,3-dioxaspiro[5.5]undecan-2-yl)-2-methoxyphenol

SpectraBase Compound ID	BGZyysHxhPO
InChI	InChI=1S/C21H32O4/c1-13(2)17-8-6-14(3)11-21(17)15(4)12-24-20(25-21)16-7-9-18(22)19(10-16)23-5/h7,9-10,13-15,17,20,22H,6,8,11-12H2,1-5H3/t14-,15?,17+,20?,21-/m1/s1
InChIKey	FVAIHDPKHYLYFQ-TUMUOYPESA-N Google Search
Mol Weight	348.5 g/mol
Molecular Formula	C21H32O4
Exact Mass	348.23006 g/mol

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SpectraBase Spectrum ID	6HX4J8Ka7M7
Name	4-((6S,7S,10R)-7-Isopropyl-5,10-dimethyl-1,3-dioxaspiro[5.5]undecan-2-yl)-2-methoxyphenol
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	348.230059506 u
Formula	C21H32O4
InChI	InChI=1S/C21H32O4/c1-13(2)17-8-6-14(3)11-21(17)15(4)12-24-20(25-21)16-7-9-18(22)19(10-16)23-5/h7,9-10,13-15,17,20,22H,6,8,11-12H2,1-5H3/t14-,15?,17+,20?,21-/m1/s1
InChIKey	FVAIHDPKHYLYFQ-TUMUOYPESA-N
Molecular Weight	348.483 g/mol
SMILES	C1(=CC=C(C=C1OC)C1O[C@]2(C(CO1)C)[C@@](CC[C@](C2)(C)[H])(C(C)C)[H])O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.840258