(4S,5R,1'S)-4-Di(ethoxycarbonyl)methyl-5-[1'-(benzyloxy)ethyl]-2(5H)-furanone

SpectraBase Compound ID	I5vVcrNbsp3
InChI	InChI=1S/C20H26O7/c1-4-24-19(22)17(20(23)25-5-2)15-11-16(21)27-18(15)13(3)26-12-14-9-7-6-8-10-14/h6-10,13,15,17-18H,4-5,11-12H2,1-3H3/t13-,15-,18-/m0/s1
InChIKey	WLZMHDTVTFCNDY-YEWWUXTCSA-N Google Search
Mol Weight	378.42 g/mol
Molecular Formula	C20H26O7
Exact Mass	378.167853 g/mol

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SpectraBase Spectrum ID	9AM0hbYM3gn
Name	(4S,5R,1'S)-4-di(Ethoxycarbonyl)methyl-5-[1'-(benzyloxy)ethyl]-2(5H)-furanone
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	378.167853170 u
Formula	C20H26O7
InChI	InChI=1S/C20H26O7/c1-4-24-19(22)17(20(23)25-5-2)15-11-16(21)27-18(15)13(3)26-12-14-9-7-6-8-10-14/h6-10,13,15,17-18H,4-5,11-12H2,1-3H3/t13-,15-,18-/m0/s1
InChIKey	WLZMHDTVTFCNDY-YEWWUXTCSA-N
Molecular Weight	378.421 g/mol
SMILES	[C@@]1(C(C(=O)OCC)C(=O)OCC)([C@@](OC(C1)=O)([C@@](OCC1=CC=CC=C1)(C)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.980637