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2-Methoxy-5-nitrobenzyl (4-(2-(hydroxyethoxy)-5-methoxy-2-{[(phenylacetyl)amino]methyl}phenyl)acetate
SpectraBase Compound ID 4mW36j14z9Q
InChI InChI=1S/C28H30N2O9/c1-36-24-16-23(30(34)35)9-8-20(24)18-39-28(33)15-21-13-25(37-2)26(38-11-10-31)14-22(21)17-29-27(32)12-19-6-4-3-5-7-19/h3-9,13-14,16,31H,10-12,15,17-18H2,1-2H3,(H,29,32)
InChIKey DQHKXBFVBCNICF-UHFFFAOYSA-N
Mol Weight 538.55 g/mol
Molecular Formula C28H30N2O9
Exact Mass 538.195131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36tnh1C9J23
Name 2-Methoxy-5-nitrobenzyl (4-(2-(hydroxyethoxy)-5-methoxy-2-{[(phenylacetyl)amino]methyl}phenyl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30N2O9
InChI InChI=1S/C28H30N2O9/c1-36-24-16-23(30(34)35)9-8-20(24)18-39-28(33)15-21-13-25(37-2)26(38-11-10-31)14-22(21)17-29-27(32)12-19-6-4-3-5-7-19/h3-9,13-14,16,31H,10-12,15,17-18H2,1-2H3,(H,29,32)
InChIKey DQHKXBFVBCNICF-UHFFFAOYSA-N
Molecular Weight 538.553 g/mol
SMILES OCCOc1c(cc(c(CNC(=O)Cc2ccccc2)c1)CC(OCc1ccc(N(=O)=O)cc1OC)=O)OC
SPLASH splash10-0540-0974000000-b33512e97aeda40cdec0
Source of Spectrum QE-7-965-11
Wiley ID 845388