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7-tert-butoxycarbonyloxy-2-keto-4-phenyl-chroman-3-carboxylic acid methyl ester
SpectraBase Compound ID 3RAjUTWp9FD
InChI InChI=1S/C22H22O7/c1-22(2,3)29-21(25)27-14-10-11-15-16(12-14)28-20(24)18(19(23)26-4)17(15)13-8-6-5-7-9-13/h5-12,17-18H,1-4H3
InChIKey LYSKQOPZWXSPCP-UHFFFAOYSA-N
Mol Weight 398.41 g/mol
Molecular Formula C22H22O7
Exact Mass 398.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdFEQhpnrLD
Name 7-tert-butoxycarbonyloxy-2-keto-4-phenyl-chroman-3-carboxylic acid methyl ester
Alternate Name(s) 7-[(2-methylpropan-2-yl)oxy-oxomethoxy]-2-oxo-4-phenyl-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester methyl 7-tert-butoxycarbonyloxy-2-oxo-4-phenyl-chromane-3-carboxylate methyl 7-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-oxidanylidene-4-phenyl-3,4-dihydrochromene-3-carboxylate methyl 7-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-oxo-4-phenyl-3,4-dihydrochromene-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C22H22O7
InChI InChI=1S/C22H22O7/c1-22(2,3)29-21(25)27-14-10-11-15-16(12-14)28-20(24)18(19(23)26-4)17(15)13-8-6-5-7-9-13/h5-12,17-18H,1-4H3
InChIKey LYSKQOPZWXSPCP-UHFFFAOYSA-N
Molecular Weight 398.411 g/mol
SMILES C1(C(C(c2ccccc2)c2c(O1)cc(OC(OC(C)(C)C)=O)cc2)C(=O)OC)=O
SPLASH splash10-0a4i-9040000000-dde3eeb1c71b93dede9c
Source of Spectrum J-66-3440-33
Wiley ID 1535211