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3-Cyclohexene-1-carboxylic acid, 4-hydroxy-2-oxo-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]-, ethyl ester
SpectraBase Compound ID D54mE1Snl9b
InChI InChI=1S/C18H28O6/c1-3-5-6-7-18(23-8-9-24-18)12-13-10-14(19)11-15(20)16(13)17(21)22-4-2/h11,13,16,19H,3-10,12H2,1-2H3
InChIKey QXUAQPCKBQWSSX-UHFFFAOYSA-N
Mol Weight 340.42 g/mol
Molecular Formula C18H28O6
Exact Mass 340.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tIXNn9CP7z
Name 3-Cyclohexene-1-carboxylic acid, 4-hydroxy-2-oxo-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]-, ethyl ester
Alternate Name(s) Ethyl 4-hydroxy-2-oxo-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]-3-cyclohexene-1-carboxylate Ethyl 4-hydroxy-2-oxo-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]cyclohex-3-ene-1-carboxylate
CAS Registry Number 112642-54-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O6
InChI InChI=1S/C18H28O6/c1-3-5-6-7-18(23-8-9-24-18)12-13-10-14(19)11-15(20)16(13)17(21)22-4-2/h11,13,16,19H,3-10,12H2,1-2H3
InChIKey QXUAQPCKBQWSSX-UHFFFAOYSA-N
Molecular Weight 340.416 g/mol
SMILES OC1=CC(C(C(CC2(OCCO2)CCCCC)C1)C(=O)OCC)=O
SPLASH splash10-0006-0940000000-b0a31cef83974ded9f60
Source of Spectrum B-40-1857-18
Wiley ID 1335082