rel-(1R,2S,3R,5R,6S)-5-hydroxy-1,3-dimethylspiro[bicyclo[4.2.0]octane-2,1'-cyclopentane]-3',7-dione 3'-ethylene acetal

SpectraBase Compound ID	1Qym6VwEHMA
InChI	InChI=1S/C16H24O4/c1-10-7-11(17)13-12(18)8-14(13,2)15(10)3-4-16(9-15)19-5-6-20-16/h10-11,13,17H,3-9H2,1-2H3/t10-,11-,13+,14-,15+/m1/s1
InChIKey	YQPDEHQWSWEYRA-NXRJPMIISA-N Google Search
Mol Weight	280.36 g/mol
Molecular Formula	C16H24O4
Exact Mass	280.167459 g/mol

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SpectraBase Spectrum ID	AYs0qyDMCaV
Name	rel-(1R,2S,3R,5R,6S)-5-Hydroxy-1,3-dimethylspiro[bicyclo[4.2.0]octane-2,1'-cyclopentane]-3',7-dione 3'-ethylene acetal
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	280.167459249 u
Formula	C16H24O4
InChI	InChI=1S/C16H24O4/c1-10-7-11(17)13-12(18)8-14(13,2)15(10)3-4-16(9-15)19-5-6-20-16/h10-11,13,17H,3-9H2,1-2H3/t10-,11-,13+,14-,15+/m1/s1
InChIKey	YQPDEHQWSWEYRA-NXRJPMIISA-N
SMILES	[C@]12([C@]3([C@](C)(C[C@]([C@@]2([H])C(C1)=O)(O)[H])[H])CC1(OCCO1)CC3)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.852194