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(1S)-2-[(1S,2S)-2-hydroxycyclohexoxy]-1-(5-keto-5-methoxy-pentyl)cyclohex-2-ene-1-carboxylic acid methyl ester
SpectraBase Compound ID 1ZVNA8rIIl9
InChI InChI=1S/C20H32O6/c1-24-18(22)12-6-8-14-20(19(23)25-2)13-7-5-11-17(20)26-16-10-4-3-9-15(16)21/h11,15-16,21H,3-10,12-14H2,1-2H3/t15-,16-,20+/m0/s1
InChIKey QYRDGOSODQVBEH-TWOQFEAHSA-N
Mol Weight 368.5 g/mol
Molecular Formula C20H32O6
Exact Mass 368.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLWU0xy4Cgy
Name (1S)-2-[(1S,2S)-2-hydroxycyclohexoxy]-1-(5-keto-5-methoxy-pentyl)cyclohex-2-ene-1-carboxylic acid methyl ester
Alternate Name(s) (1S)-2-[(1S,2S)-2-hydroxycyclohexyl]oxy-1-(5-methoxy-5-oxopentyl)-1-cyclohex-2-enecarboxylic acid methyl ester Methyl (1S)-1-(5-methoxy-5-oxidanylidene-pentyl)-2-[(1S,2S)-2-oxidanylcyclohexyl]oxy-cyclohex-2-ene-1-carboxylate Methyl (1S)-2-[(1S,2S)-2-hydroxycyclohexoxy]-1-(5-methoxy-5-oxo-pentyl)cyclohex-2-ene-1-carboxylate Methyl (1S)-2-[(1S,2S)-2-hydroxycyclohexyl]oxy-1-(5-methoxy-5-oxopentyl)cyclohex-2-ene-1-carboxylate
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Formula C20H32O6
InChI InChI=1S/C20H32O6/c1-24-18(22)12-6-8-14-20(19(23)25-2)13-7-5-11-17(20)26-16-10-4-3-9-15(16)21/h11,15-16,21H,3-10,12-14H2,1-2H3/t15-,16-,20+/m0/s1
InChIKey QYRDGOSODQVBEH-TWOQFEAHSA-N
Molecular Weight 368.470 g/mol
SMILES O[C@@]1([C@@](OC=2[C@](C(=O)OC)(CCCCC(=O)OC)CCCC2)(CCCC1)[H])[H]
SPLASH splash10-0a4i-0912000000-d96e0e7cf88c45d088de
Source of Spectrum KC-0-3444-7
Wiley ID 782778