6-[(Ethoxycarbonyl)methyl]-1,4-dimethyl-3-(1'-methylethylidene)-4-cyclohexene-1,2-dicarboxylic - anhydride - Optional[Vapor Phase IR] - Spectrum

SpectraBase Compound ID	FghbfermvLz
InChI	InChI=1S/C17H22O5/c1-6-21-12(18)8-11-7-10(4)13(9(2)3)14-15(19)22-16(20)17(11,14)5/h7,11,14H,6,8H2,1-5H3
InChIKey	GDUHMSOIAUQFNO-UHFFFAOYSA-N Google Search
Mol Weight	306.36 g/mol
Molecular Formula	C17H22O5
Exact Mass	306.146724 g/mol

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SpectraBase Spectrum ID	OrnVR2rmhL
Name	6-[(Ethoxycarbonyl)methyl]-1,4-dimethyl-3-(1'-methylethylidene)-4-cyclohexene-1,2-dicarboxylic - anhydride
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	306.146723803 u
Formula	C17H22O5
InChI	InChI=1S/C17H22O5/c1-6-21-12(18)8-11-7-10(4)13(9(2)3)14-15(19)22-16(20)17(11,14)5/h7,11,14H,6,8H2,1-5H3
InChIKey	GDUHMSOIAUQFNO-UHFFFAOYSA-N
Molecular Weight	306.358 g/mol
SMILES	C1(C2(C(C(=C(C)C)C(=CC2CC(=O)OCC)C)C(O1)=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.905585