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4-(1-hydroxycyclohexyl)-3-keto-butyric acid methyl ester
SpectraBase Compound ID IJmClMo4FXJ
InChI InChI=1S/C11H18O4/c1-15-10(13)7-9(12)8-11(14)5-3-2-4-6-11/h14H,2-8H2,1H3
InChIKey RXECZAZNFBXNHJ-UHFFFAOYSA-N
Mol Weight 214.26 g/mol
Molecular Formula C11H18O4
Exact Mass 214.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHvZwxFgORn
Name 4-(1-hydroxycyclohexyl)-3-keto-butyric acid methyl ester
Alternate Name(s) 4-(1-hydroxycyclohexyl)-3-oxobutanoic acid methyl ester Methyl 4-(1-hydroxycyclohexyl)-3-oxo-butanoate Methyl 4-(1-oxidanylcyclohexyl)-3-oxidanylidene-butanoate
CAS Registry Number 35468-78-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O4
InChI InChI=1S/C11H18O4/c1-15-10(13)7-9(12)8-11(14)5-3-2-4-6-11/h14H,2-8H2,1H3
InChIKey RXECZAZNFBXNHJ-UHFFFAOYSA-N
Molecular Weight 214.261 g/mol
SMILES OC1(CC(CC(=O)OC)=O)CCCCC1
SPLASH splash10-067j-9500000000-662c9c280eac29c325be
Source of Spectrum G-64-1813-22
Wiley ID 749569