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N-Acetyl-3-(3,4-diacetoxyphenyl)-2-methyl-dl-alanine

View entire compound with spectra: 1 NMR

N-Acetyl-3-(3,4-diacetoxyphenyl)-2-methyl-dl-alanine
SpectraBase Compound ID FmhPrBlhqyr
InChI InChI=1S/C16H19NO7/c1-9(18)17-16(4,15(21)22)8-12-5-6-13(23-10(2)19)14(7-12)24-11(3)20/h5-7H,8H2,1-4H3,(H,17,18)(H,21,22)
InChIKey HAKWNFAAZYTBIV-UHFFFAOYSA-N
Mol Weight 337.33 g/mol
Molecular Formula C16H19NO7
Exact Mass 337.116152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5PXlAbtwJKr
Name N-Acetyl-3-(3,4-diacetoxyphenyl)-2-methyl-dl-alanine
Comments Computed using HOSE algorithm
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Exact Mass 337.116151949 u
Formula C16H19NO7
InChI InChI=1S/C16H19NO7/c1-9(18)17-16(4,15(21)22)8-12-5-6-13(23-10(2)19)14(7-12)24-11(3)20/h5-7H,8H2,1-4H3,(H,17,18)(H,21,22)
InChIKey HAKWNFAAZYTBIV-UHFFFAOYSA-N
Molecular Weight 337.328 g/mol
SMILES C1(=C(C=C(C=C1)CC(C(O)=O)(C)NC(C)=O)OC(C)=O)OC(=O)C