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2-[4-(1-hydroxycyclopropyl)-3-keto-butyl]malonic acid dimethyl ester
SpectraBase Compound ID 3uGp1GLrLx2
InChI InChI=1S/C12H18O6/c1-17-10(14)9(11(15)18-2)4-3-8(13)7-12(16)5-6-12/h9,16H,3-7H2,1-2H3
InChIKey TYQRQTRFJGLWCL-UHFFFAOYSA-N
Mol Weight 258.27 g/mol
Molecular Formula C12H18O6
Exact Mass 258.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GO7II5kE10I
Name 2-[4-(1-hydroxycyclopropyl)-3-keto-butyl]malonic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O6
InChI InChI=1S/C12H18O6/c1-17-10(14)9(11(15)18-2)4-3-8(13)7-12(16)5-6-12/h9,16H,3-7H2,1-2H3
InChIKey TYQRQTRFJGLWCL-UHFFFAOYSA-N
Molecular Weight 258.270 g/mol
SMILES OC1(CC1)CC(CCC(C(=O)OC)C(=O)OC)=O
SPLASH splash10-0bt9-0900000000-a22402009457758dee22
Source of Spectrum SO-0-176-2
Synonyms 2-[4-(1-hydroxycyclopropyl)-3-oxobutyl]propanedioic acid dimethyl ester Dimethyl 2-[4-(1-hydroxycyclopropyl)-3-oxo-butyl]propanedioate Dimethyl 2-[4-(1-hydroxycyclopropyl)-3-oxobutyl]malonate Dimethyl 2-[4-(1-oxidanylcyclopropyl)-3-oxidanylidene-butyl]propanedioate
Wiley ID 1540579