2-[(2R,3S,4R)-3,4-dimethyl-2-oxanyl]acetic acid ethyl ester

SpectraBase Compound ID	2HSAGV3pof0
InChI	InChI=1S/C11H20O3/c1-4-13-11(12)7-10-9(3)8(2)5-6-14-10/h8-10H,4-7H2,1-3H3/t8-,9+,10-/m1/s1
InChIKey	RZBQCRURPZNBIA-KXUCPTDWSA-N Google Search
Mol Weight	200.28 g/mol
Molecular Formula	C11H20O3
Exact Mass	200.141245 g/mol

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SpectraBase Spectrum ID	VGcyygsNSf
Name	2-[(2R,3S,4R)-3,4-Dimethyl-2-oxanyl]acetic acid ethyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	200.141244501 u
Formula	C11H20O3
InChI	InChI=1S/C11H20O3/c1-4-13-11(12)7-10-9(3)8(2)5-6-14-10/h8-10H,4-7H2,1-3H3/t8-,9+,10-/m1/s1
InChIKey	RZBQCRURPZNBIA-KXUCPTDWSA-N
Molecular Weight	200.278 g/mol
SMILES	C([C@@]1([C@]([C@](C)(CCO1)[H])(C)[H])[H])C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.959415