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L-Tyrosine, N,o-bis(2-thienylcarbonyl)-, methyl ester

View entire compound with spectra: 1 NMR

L-Tyrosine, N,o-bis(2-thienylcarbonyl)-, methyl ester
SpectraBase Compound ID Lej67nwLKxG
InChI InChI=1S/C20H17NO5S2/c1-25-19(23)15(21-18(22)16-4-2-10-27-16)12-13-6-8-14(9-7-13)26-20(24)17-5-3-11-28-17/h2-11,15H,12H2,1H3,(H,21,22)
InChIKey HWENSLXLUVVLFZ-UHFFFAOYSA-N
Mol Weight 415.48 g/mol
Molecular Formula C20H17NO5S2
Exact Mass 415.054815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3G8DEbTEihj
Name L-Tyrosine, N,o-bis(2-thienylcarbonyl)-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 415.054814994 u
Formula C20H17NO5S2
InChI InChI=1S/C20H17NO5S2/c1-25-19(23)15(21-18(22)16-4-2-10-27-16)12-13-6-8-14(9-7-13)26-20(24)17-5-3-11-28-17/h2-11,15H,12H2,1H3,(H,21,22)
InChIKey HWENSLXLUVVLFZ-UHFFFAOYSA-N
Molecular Weight 415.478 g/mol
SMILES C1=CSC(=C1)C(=O)OC1=CC=C(C=C1)CC(C(OC)=O)NC(C1=CC=CS1)=O