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N-(2',4'-Dimethoxybenzoyl)-theronine - methyl ester
SpectraBase Compound ID DUtHk9IdxIu
InChI InChI=1S/C14H19NO6/c1-8(16)12(14(18)21-4)15-13(17)10-6-5-9(19-2)7-11(10)20-3/h5-8,12,16H,1-4H3,(H,15,17)
InChIKey NHMHRXGKUBBIOL-UHFFFAOYSA-N
Mol Weight 297.31 g/mol
Molecular Formula C14H19NO6
Exact Mass 297.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZaTsspoDet
Name N-(2',4'-Dimethoxybenzoyl)-theronine - methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C14H19NO6
InChI InChI=1S/C14H19NO6/c1-8(16)12(14(18)21-4)15-13(17)10-6-5-9(19-2)7-11(10)20-3/h5-8,12,16H,1-4H3,(H,15,17)
InChIKey NHMHRXGKUBBIOL-UHFFFAOYSA-N
Molecular Weight 297.307 g/mol
SMILES N(C(c1c(cc(cc1)OC)OC)=O)C(C(O)C)C(=O)OC
SPLASH splash10-014i-0900000000-ee62dec5565e7d5696aa
Source of Spectrum SK-29-1974-11f
Wiley ID 880667