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3-Cyclohexene-1-carboxylic acid, 4-hydroxy-2-oxo-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]-, ethyl ester
SpectraBase Compound ID 5ECqBExZYUX
InChI InChI=1S/C16H24O6/c1-3-5-16(21-6-7-22-16)10-11-8-12(17)9-13(18)14(11)15(19)20-4-2/h9,11,14,17H,3-8,10H2,1-2H3
InChIKey DJKQECZVDXIGRI-UHFFFAOYSA-N
Mol Weight 312.36 g/mol
Molecular Formula C16H24O6
Exact Mass 312.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0qXUR8bjJJ
Name 3-Cyclohexene-1-carboxylic acid, 4-hydroxy-2-oxo-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]-, ethyl ester
Alternate Name(s) ethyl 4-hydroxy-2-oxo-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]-3-cyclohexene-1-carboxylate Ethyl 4-hydroxy-2-oxo-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]cyclohex-3-ene-1-carboxylate
CAS Registry Number 111806-54-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O6
InChI InChI=1S/C16H24O6/c1-3-5-16(21-6-7-22-16)10-11-8-12(17)9-13(18)14(11)15(19)20-4-2/h9,11,14,17H,3-8,10H2,1-2H3
InChIKey DJKQECZVDXIGRI-UHFFFAOYSA-N
Molecular Weight 312.362 g/mol
SMILES OC1=CC(C(C(CC2(OCCO2)CCC)C1)C(=O)OCC)=O
SPLASH splash10-014i-0090000000-ff8312b5950de9d195d7
Source of Spectrum B-42-1975-16
Wiley ID 1313151