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N-{2-[2'-(Methoxycarbonyl)-2'-nitroethenyl]-N-methyl-valine-Benzyl Ester
SpectraBase Compound ID AIGcwsoxiYN
InChI InChI=1S/C23H26N2O6/c1-16(2)21(23(27)31-15-17-10-6-5-7-11-17)24(3)19-13-9-8-12-18(19)14-20(25(28)29)22(26)30-4/h5-14,16,21H,15H2,1-4H3/b20-14-/t21-/m0/s1
InChIKey GMPJYUBUHHDDFT-URBQWANRSA-N
Mol Weight 426.47 g/mol
Molecular Formula C23H26N2O6
Exact Mass 426.179087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GaFyoU8SEr
Name N-{2-[2'-(Methoxycarbonyl)-2'-nitroethenyl]-N-methyl-valine-Benzyl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O6
InChI InChI=1S/C23H26N2O6/c1-16(2)21(23(27)31-15-17-10-6-5-7-11-17)24(3)19-13-9-8-12-18(19)14-20(25(28)29)22(26)30-4/h5-14,16,21H,15H2,1-4H3/b20-14-/t21-/m0/s1
InChIKey GMPJYUBUHHDDFT-URBQWANRSA-N
Molecular Weight 426.469 g/mol
SMILES c1(\C=C\(N(=O)=O)C(=O)OC)c(N([C@](C(OCc2ccccc2)=O)(C(C)C)[H])C)cccc1
SPLASH splash10-009x-6462900000-025e502e3979f9cec002
Source of Spectrum C-120-12466-35
Wiley ID 1699942