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N-cis-p-Coumaroyltyrosine, 3tms

View entire compound with spectra: 1 NMR

N-cis-p-Coumaroyltyrosine, 3tms
SpectraBase Compound ID EfeuDcQDM9K
InChI InChI=1S/C27H41NO5Si3/c1-34(2,3)31-23-15-10-21(11-16-23)14-19-26(29)28-25(27(30)33-36(7,8)9)20-22-12-17-24(18-13-22)32-35(4,5)6/h10-19,25H,20H2,1-9H3,(H,28,29)/b19-14-/t25-/m0/s1
InChIKey SGKJWQSTDPIVHN-MXDSONSJSA-N
Mol Weight 543.9 g/mol
Molecular Formula C27H41NO5Si3
Exact Mass 543.229253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWJ32AdIODn
Name N-cis-p-Coumaroyltyrosine, 3tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 543.229253024 u
Formula C27H41NO5Si3
InChI InChI=1S/C27H41NO5Si3/c1-34(2,3)31-23-15-10-21(11-16-23)14-19-26(29)28-25(27(30)33-36(7,8)9)20-22-12-17-24(18-13-22)32-35(4,5)6/h10-19,25H,20H2,1-9H3,(H,28,29)/b19-14-/t25-/m0/s1
InChIKey SGKJWQSTDPIVHN-MXDSONSJSA-N
Molecular Weight 543.882 g/mol
SMILES C1=C(C=CC(=C1)C[C@@](C(O[Si](C)(C)C)=O)(NC(\C=C/C1=CC=C(C=C1)O[Si](C)(C)C)=O)[H])O[Si](C)(C)C