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(2S)-2-[(2,3-dimethoxybenzoyl)amino]-4-methyl-pentanoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2S)-2-[(2,3-dimethoxybenzoyl)amino]-4-methyl-pentanoic acid
SpectraBase Compound ID 6ijNhoUliOY
InChI InChI=1S/C15H21NO5/c1-9(2)8-11(15(18)19)16-14(17)10-6-5-7-12(20-3)13(10)21-4/h5-7,9,11H,8H2,1-4H3,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKey AWIRUSUHMHSAKW-NSHDSACASA-N
Mol Weight 295.34 g/mol
Molecular Formula C15H21NO5
Exact Mass 295.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZTNrpAs3HP
Name (2S)-2-[(2,3-Dimethoxybenzoyl)amino]-4-methyl-pentanoic acid
Comments Computed using HOSE algorithm
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Exact Mass 295.141972775 u
Formula C15H21NO5
InChI InChI=1S/C15H21NO5/c1-9(2)8-11(15(18)19)16-14(17)10-6-5-7-12(20-3)13(10)21-4/h5-7,9,11H,8H2,1-4H3,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKey AWIRUSUHMHSAKW-NSHDSACASA-N
Molecular Weight 295.335 g/mol
SMILES C=1(C(N[C@](C(=O)O)(CC(C)C)[H])=O)C(=C(OC)C=CC1)OC