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1-Benzyl 3-cyclohexyl malonate
SpectraBase Compound ID 8iDXM53ufmA
InChI InChI=1S/C16H20O4/c17-15(19-12-13-7-3-1-4-8-13)11-16(18)20-14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKey RMNCOSNPDUQVJF-UHFFFAOYSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LrnOjDqBLpc
Name 1-Benzyl 3-cyclohexyl malonate
Alternate Name(s) 1-O-benzyl 3-O-cyclohexyl propanedioate malonic acid O1-benzyl ester O3-cyclohexyl ester Malonic acid, benzyl ester cyclohexyl ester O1-benzyl O3-cyclohexyl propanedioate O3-cyclohexyl O1-(phenylmethyl) propanedioate Propanedioic acid O3-cyclohexyl ester O1-(phenylmethyl) ester
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Formula C16H20O4
InChI InChI=1S/C16H20O4/c17-15(19-12-13-7-3-1-4-8-13)11-16(18)20-14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKey RMNCOSNPDUQVJF-UHFFFAOYSA-N
Molecular Weight 276.332 g/mol
SMILES C(CC(=O)OCc1ccccc1)(OC1CCCCC1)=O
SPLASH splash10-0a4l-9600000000-7ec3469f08b68e961a63
Wiley ID 1489151