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Methyl (S)-2-[(benzyloxy)carbonylamino]-3-(thiophen-2'-yl)propanoate

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

Methyl (S)-2-[(benzyloxy)carbonylamino]-3-(thiophen-2'-yl)propanoate
SpectraBase Compound ID IzJv0dnEJhK
InChI InChI=1S/C16H17NO4S/c1-20-15(18)14(10-13-8-5-9-22-13)17-16(19)21-11-12-6-3-2-4-7-12/h2-9,14H,10-11H2,1H3,(H,17,19)/t14-/m0/s1
InChIKey TYIWQSOHNYETDK-AWEZNQCLSA-N
Mol Weight 319.38 g/mol
Molecular Formula C16H17NO4S
Exact Mass 319.087829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bf3R9R2RliW
Name Methyl (S)-2-[(benzyloxy)carbonylamino]-3-(thiophen-2'-yl)propanoate
Comments Computed using HOSE algorithm
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Exact Mass 319.087829201 u
Formula C16H17NO4S
InChI InChI=1S/C16H17NO4S/c1-20-15(18)14(10-13-8-5-9-22-13)17-16(19)21-11-12-6-3-2-4-7-12/h2-9,14H,10-11H2,1H3,(H,17,19)/t14-/m0/s1
InChIKey TYIWQSOHNYETDK-AWEZNQCLSA-N
Molecular Weight 319.375 g/mol
SMILES C(N[C@](C(=O)OC)(CC=1SC=CC1)[H])(=O)OCC1=CC=CC=C1