(1S,5R,6S)-2-Oxabicyclo[3.1.0]hex-3-ene-4,6-dicarboxylic 6-ethyl ester 4-methyl ester

SpectraBase Compound ID	FRHs5CeX9Cz
InChI	InChI=1S/C10H12O5/c1-3-14-10(12)7-6-5(9(11)13-2)4-15-8(6)7/h4,6-8H,3H2,1-2H3/t6-,7-,8-/m0/s1
InChIKey	IDCKBQWOKGJFFE-FXQIFTODSA-N Google Search
Mol Weight	212.2 g/mol
Molecular Formula	C10H12O5
Exact Mass	212.068473 g/mol

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SpectraBase Spectrum ID	Gf9OWed0as1
Name	(1S,5R,6S)-2-Oxabicyclo[3.1.0]hex-3-ene-4,6-dicarboxylic 6-ethyl ester 4-methyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	212.068473481 u
Formula	C10H12O5
InChI	InChI=1S/C10H12O5/c1-3-14-10(12)7-6-5(9(11)13-2)4-15-8(6)7/h4,6-8H,3H2,1-2H3/t6-,7-,8-/m0/s1
InChIKey	IDCKBQWOKGJFFE-FXQIFTODSA-N
Molecular Weight	212.201 g/mol
SMILES	[C@]1([C@@]2(C(C(=O)OC)=CO[C@]12[H])[H])(C(=O)OCC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.827826