3a,13a-Epoxy-1H-cyclopentacyclododecen-1-ol, dodecahydro-2-methyl-, acetate, (1R*,2S*,3aS*,13aR*)-(.+-.)- - Optional[Vapor Phase IR] - Spectrum

SpectraBase Compound ID	EBxqlI704Aw
InChI	InChI=1S/C18H30O3/c1-14-13-17-11-9-7-5-3-4-6-8-10-12-18(17,21-17)16(14)20-15(2)19/h14,16H,3-13H2,1-2H3/t14-,16+,17-,18+/m0/s1
InChIKey	UXJGTNRBWAGXFB-XOYOTBSWSA-N Google Search
Mol Weight	294.44 g/mol
Molecular Formula	C18H30O3
Exact Mass	294.219495 g/mol

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SpectraBase Spectrum ID	7TWEijgtQm7
Name	3A,13A-Epoxy-1H-cyclopentacyclododecen-1-ol, dodecahydro-2-methyl-, acetate, (1R,2S,3as,13AR)-(.+-.)-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	294.219494823 u
Formula	C18H30O3
InChI	InChI=1S/C18H30O3/c1-14-13-17-11-9-7-5-3-4-6-8-10-12-18(17,21-17)16(14)20-15(2)19/h14,16H,3-13H2,1-2H3/t14-,16+,17-,18+/m0/s1
InChIKey	UXJGTNRBWAGXFB-XOYOTBSWSA-N
SMILES	[C@@]123[C@@](C[C@@]([C@]3(OC(=O)C)[H])(C)[H])(CCCCCCCCCC1)O2
Spectrum/Structure Validation Score (Vapor Phase IR)	0.849545