(1R,4S,6S)-4-(1,1-dimethylethyl)bicyclo[4.1.0]heptan-2-one(2S,3S)-2,3-butanediol ketal

SpectraBase Compound ID	27AimMLRqJp
InChI	InChI=1S/C15H26O2/c1-8-9(2)17-14-12(15(3,4)5)7-10-6-11(10)13(14)16-8/h8-14H,6-7H2,1-5H3/t8-,9-,10-,11+,12+,13?,14?/m0/s1
InChIKey	WIMSAWQAPBDUBF-FSIUNCDRSA-N Google Search
Mol Weight	238.37 g/mol
Molecular Formula	C15H26O2
Exact Mass	238.19328 g/mol

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SpectraBase Spectrum ID	9DbwbZZAq7L
Name	(1R,4S,6S)-4-(1,1-Dimethylethyl)bicyclo[4.1.0]heptan-2-one(2S,3S)-2,3-butanediol ketal
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	238.193280075 u
Formula	C15H26O2
InChI	InChI=1S/C15H26O2/c1-8-9(2)17-14-12(15(3,4)5)7-10-6-11(10)13(14)16-8/h8-14H,6-7H2,1-5H3/t8-,9-,10-,11+,12+,13?,14?/m0/s1
InChIKey	WIMSAWQAPBDUBF-FSIUNCDRSA-N
Molecular Weight	238.371 g/mol
SMILES	[C@@]12(C3C(O[C@]([C@@](O3)(C)[H])(C)[H])[C@@](C[C@]1([H])C2)(C(C)(C)C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.911096