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2-[[3-acetamido-4-(2,6-ditert-butyl-4-methoxy-phenoxy)-4-keto-butyl]-acetyl-amino]-4-methyl-valeric acid methyl ester
SpectraBase Compound ID 4OrcjJ1xfaP
InChI InChI=1S/C30H48N2O7/c1-18(2)15-25(28(36)38-12)32(20(4)34)14-13-24(31-19(3)33)27(35)39-26-22(29(5,6)7)16-21(37-11)17-23(26)30(8,9)10/h16-18,24-25H,13-15H2,1-12H3,(H,31,33)
InChIKey FDOOCVUSRMOUNX-UHFFFAOYSA-N
Mol Weight 548.7 g/mol
Molecular Formula C30H48N2O7
Exact Mass 548.346152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2th6tHEAuPb
Name 2-[[3-acetamido-4-(2,6-ditert-butyl-4-methoxy-phenoxy)-4-keto-butyl]-acetyl-amino]-4-methyl-valeric acid methyl ester
Alternate Name(s) 2-[[3-acetamido-4-(2,6-ditert-butyl-4-methoxyphenoxy)-4-oxobutyl]-acetylamino]-4-methylpentanoic acid methyl ester Methyl 2-(acetyl[3-(acetylamino)-4-(2,6-ditert-butyl-4-methoxyphenoxy)-4-oxobutyl]amino)-4-methylpentanoate Methyl 2-[[3-acetamido-4-(2,6-ditert-butyl-4-methoxy-phenoxy)-4-oxidanylidene-butyl]-ethanoyl-amino]-4-methyl-pentanoate Methyl 2-[[3-acetamido-4-(2,6-ditert-butyl-4-methoxy-phenoxy)-4-oxo-butyl]-acetyl-amino]-4-methyl-pentanoate
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Formula C30H48N2O7
InChI InChI=1S/C30H48N2O7/c1-18(2)15-25(28(36)38-12)32(20(4)34)14-13-24(31-19(3)33)27(35)39-26-22(29(5,6)7)16-21(37-11)17-23(26)30(8,9)10/h16-18,24-25H,13-15H2,1-12H3,(H,31,33)
InChIKey FDOOCVUSRMOUNX-UHFFFAOYSA-N
Molecular Weight 548.721 g/mol
SMILES N(C(C(Oc1c(C(C)(C)C)cc(cc1C(C)(C)C)OC)=O)CCN(C(C(=O)OC)CC(C)C)C(=O)C)C(=O)C
SPLASH splash10-06ri-8893000000-07e7a492dde719381928
Wiley ID 1486475