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(R)-bz-Homocys[(Z)-2-carbomethoxyethenyl]-oet

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

(R)-bz-Homocys[(Z)-2-carbomethoxyethenyl]-oet
SpectraBase Compound ID Arw0xceKJM2
InChI InChI=1S/C16H19NO5S/c1-3-22-16(20)13(11-23-10-9-14(18)21-2)17-15(19)12-7-5-4-6-8-12/h4-10,13H,3,11H2,1-2H3,(H,17,19)/b10-9+/t13-/m0/s1
InChIKey FMYPDLBAAMIYRD-LXKVQUBZSA-N
Mol Weight 337.39 g/mol
Molecular Formula C16H19NO5S
Exact Mass 337.098394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4E8tql36B5T
Name (R)-bz-Homocys[(Z)-2-carbomethoxyethenyl]-oet
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.098393885 u
Formula C16H19NO5S
InChI InChI=1S/C16H19NO5S/c1-3-22-16(20)13(11-23-10-9-14(18)21-2)17-15(19)12-7-5-4-6-8-12/h4-10,13H,3,11H2,1-2H3,(H,17,19)/b10-9+/t13-/m0/s1
InChIKey FMYPDLBAAMIYRD-LXKVQUBZSA-N
Molecular Weight 337.390 g/mol
SMILES C(N[C@](C(=O)OCC)(CS\C=C\C(=O)OC)[H])(=O)C1=CC=CC=C1