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Methyl (2S)-2-amino-3-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanoate
SpectraBase Compound ID 9pn2jbjBFs
InChI InChI=1S/C13H17NO4/c1-13(2)17-10-5-4-8(7-11(10)18-13)6-9(14)12(15)16-3/h4-5,7,9H,6,14H2,1-3H3/t9-/m0/s1
InChIKey VFJXGONWFJOUIE-VIFPVBQESA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALKxqpNNLkE
Name Methyl (2S)-2-amino-3-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanoate
Appearance Oil residue
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Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-13(2)17-10-5-4-8(7-11(10)18-13)6-9(14)12(15)16-3/h4-5,7,9H,6,14H2,1-3H3/t9-/m0/s1
InChIKey VFJXGONWFJOUIE-VIFPVBQESA-N
Ionization Type EI
Molecular Weight 251.282 g/mol
Reported Formula C13H17NO4
SMILES N[C@@](Cc1cc2OC(Oc2cc1)(C)C)(C(OC)=O)[H]
SPLASH splash10-03di-0900000000-cc0d5c1cc7b5db1245e2
Source of Spectrum US20100087622A1
Wiley ID 1842159