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Trimethyl 1,6-dibenzyl-18-oxo-1,6-diazacycloeicosa-3,8,13-triene-11,11,16-tricarboxylate
SpectraBase Compound ID EXQXMwvPQXK
InChI InChI=1S/C38H48N2O7/c1-45-35(42)33-20-10-11-22-38(36(43)46-2,37(44)47-3)23-12-13-24-39(29-31-16-6-4-7-17-31)25-14-15-26-40(27-21-34(41)28-33)30-32-18-8-5-9-19-32/h4-19,33H,20-30H2,1-3H3/b11-10-,13-12-,15-14-
InChIKey NPZBBVZDAXPXDA-KAEWEBNJSA-N
Mol Weight 644.8 g/mol
Molecular Formula C38H48N2O7
Exact Mass 644.346152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TqFjlR5EqH
Name Trimethyl 1,6-dibenzyl-18-oxo-1,6-diazacycloeicosa-3,8,13-triene-11,11,16-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H48N2O7
InChI InChI=1S/C38H48N2O7/c1-45-35(42)33-20-10-11-22-38(36(43)46-2,37(44)47-3)23-12-13-24-39(29-31-16-6-4-7-17-31)25-14-15-26-40(27-21-34(41)28-33)30-32-18-8-5-9-19-32/h4-19,33H,20-30H2,1-3H3/b11-10-,13-12-,15-14-
InChIKey NPZBBVZDAXPXDA-KAEWEBNJSA-N
Molecular Weight 644.809 g/mol
SMILES C1(C(=O)OC)(C(=O)OC)C\C=C/CN(Cc2ccccc2)C\C=C/CN(CCC(CC(C(=O)OC)C\C=C/C1)=O)Cc1ccccc1
SPLASH splash10-0f6x-9000042000-48e23c92e769f5f019b8
Source of Spectrum K1-2001-4203-23
Synonyms Trimethyl 1,6-dibenzyl-18-oxo-1,6-diazacycloicosa-3,8,13-triene-11,11,16-tricarboxylate
Wiley ID 813570