(1R,5S)-1-methylbicyclo[3.1.0]hexan-2-one 1,4-di-o-methyl-l-threitol ketal

SpectraBase Compound ID	8gPy4gBG6bv
InChI	InChI=1S/C13H22O4/c1-12-6-9(12)4-5-13(12)16-10(7-14-2)11(17-13)8-15-3/h9-11H,4-8H2,1-3H3/t9-,10-,11+,12+,13?/m0/s1
InChIKey	FHSIYJZFIGNZCE-DMRUHBNHSA-N Google Search
Mol Weight	242.31 g/mol
Molecular Formula	C13H22O4
Exact Mass	242.151809 g/mol

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SpectraBase Spectrum ID	I8MrGHpD02B
Name	(1R,5S)-1-Methylbicyclo[3.1.0]hexan-2-one 1,4-di-o-methyl-L-threitol ketal
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	242.151809184 u
Formula	C13H22O4
InChI	InChI=1S/C13H22O4/c1-12-6-9(12)4-5-13(12)16-10(7-14-2)11(17-13)8-15-3/h9-11H,4-8H2,1-3H3/t9-,10-,11+,12+,13?/m0/s1
InChIKey	FHSIYJZFIGNZCE-DMRUHBNHSA-N
Molecular Weight	242.315 g/mol
SMILES	C12([C@@]3(C[C@]3([H])CC1)C)O[C@](COC)([C@@](O2)(COC)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.899328