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Dimethyl-(2'S,2R)-(+)-2-(4-benzyloxy-3-methoxyphenyl)-4-[2-(methoxymethyl)pyrrolidinoimino]-4-phenyl-1,1-butanedicarboxylate

View entire compound with spectra: 1 MS (GC)

Dimethyl-(2'S,2R)-(+)-2-(4-benzyloxy-3-methoxyphenyl)-4-[2-(methoxymethyl)pyrrolidinoimino]-4-phenyl-1,1-butanedicarboxylate
SpectraBase Compound ID LIGxulvmwub
InChI InChI=1S/C34H40N2O7/c1-39-23-27-16-11-19-36(27)35-29(25-14-9-6-10-15-25)21-28(32(33(37)41-3)34(38)42-4)26-17-18-30(31(20-26)40-2)43-22-24-12-7-5-8-13-24/h5-10,12-15,17-18,20,27-28,32H,11,16,19,21-23H2,1-4H3/b35-29+/t27-,28-/m0/s1
InChIKey CZVPCAXSVXORGO-SARBTWNNSA-N
Mol Weight 588.7 g/mol
Molecular Formula C34H40N2O7
Exact Mass 588.283552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nQtZxLm1Ca
Name Dimethyl-(2'S,2R)-(+)-2-(4-benzyloxy-3-methoxyphenyl)-4-[2-(methoxymethyl)pyrrolidinoimino]-4-phenyl-1,1-butanedicarboxylate
Alternate Name(s) Dimethyl 2-((1R,3E)-1-[4-(benzyloxy)-3-methoxyphenyl]-3-{[(2S)-2-(methoxymethyl)pyrrolidinyl]imino}-3-phenylpropyl)malonate
CAS Registry Number 109033-99-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H40N2O7
InChI InChI=1S/C34H40N2O7/c1-39-23-27-16-11-19-36(27)35-29(25-14-9-6-10-15-25)21-28(32(33(37)41-3)34(38)42-4)26-17-18-30(31(20-26)40-2)43-22-24-12-7-5-8-13-24/h5-10,12-15,17-18,20,27-28,32H,11,16,19,21-23H2,1-4H3/b35-29+/t27-,28-/m0/s1
InChIKey CZVPCAXSVXORGO-SARBTWNNSA-N
Molecular Weight 588.701 g/mol
SMILES C([C@@](C\C(=N/N1[C@](COC)(CCC1)[H])c1ccccc1)(c1cc(OC)c(cc1)OCc1ccccc1)[H])(C(=O)OC)C(=O)OC
SPLASH splash10-0006-3000090000-6e58fac488f09fa907c5
Source of Spectrum K-120-1733-0
Wiley ID 1409204