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(1R,2S)-2-[(4-tert-butylcyclohexyl)methyl]-1,2-dihydroxy-3-keto-indane-1-carboxylic acid methyl ester
SpectraBase Compound ID 2mJf5tn6zd5
InChI InChI=1S/C22H30O5/c1-20(2,3)15-11-9-14(10-12-15)13-21(25)18(23)16-7-5-6-8-17(16)22(21,26)19(24)27-4/h5-8,14-15,25-26H,9-13H2,1-4H3/t14?,15?,21-,22+/m1/s1
InChIKey OGQXUTIBWAXYFA-HIZRVXGDSA-N
Mol Weight 374.48 g/mol
Molecular Formula C22H30O5
Exact Mass 374.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DeXREHyHnY1
Name (1R,2S)-2-[(4-tert-butylcyclohexyl)methyl]-1,2-dihydroxy-3-keto-indane-1-carboxylic acid methyl ester
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Formula C22H30O5
InChI InChI=1S/C22H30O5/c1-20(2,3)15-11-9-14(10-12-15)13-21(25)18(23)16-7-5-6-8-17(16)22(21,26)19(24)27-4/h5-8,14-15,25-26H,9-13H2,1-4H3/t14?,15?,21-,22+/m1/s1
InChIKey OGQXUTIBWAXYFA-HIZRVXGDSA-N
Molecular Weight 374.477 g/mol
SMILES O[C@]1([C@](c2c(C1=O)cccc2)(C(=O)OC)O)CC1CCC(C(C)(C)C)CC1
SPLASH splash10-00kf-9074000000-609a911f224f70d791cb
Source of Spectrum J-64-7336-6
Synonyms (1R,2S)-2-[(4-tert-butylcyclohexyl)methyl]-1,2-dihydroxy-3-oxo-1-indenecarboxylic acid methyl ester Methyl (1R,2S)-2-[(4-tert-butylcyclohexyl)methyl]-1,2-bis(oxidanyl)-3-oxidanylidene-indene-1-carboxylate Methyl (1R,2S)-2-[(4-tert-butylcyclohexyl)methyl]-1,2-dihydroxy-3-oxo-indane-1-carboxylate Methyl (1R,2S)-2-[(4-tert-butylcyclohexyl)methyl]-1,2-dihydroxy-3-oxoindene-1-carboxylate
Wiley ID 1531143