For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-Oxa-8,9-diazatetracyclo[5.2.2.0(2,6).0(3,5)]undec-10-ene-8,9-dicarboxylic acid, 1-methyl-7,10,11-triphenyl-, bis(phenylmethyl) ester, (1.alpha.,2.beta.,3.alpha.,5.alpha.,6.beta.,7.alpha.)-
SpectraBase Compound ID 646lZzLc6pi
InChI InChI=1S/C43H36N2O5/c1-42-34(31-21-11-4-12-22-31)35(32-23-13-5-14-24-32)43(33-25-15-6-16-26-33,37-36(42)38-39(37)50-38)45(41(47)49-28-30-19-9-3-10-20-30)44(42)40(46)48-27-29-17-7-2-8-18-29/h2-26,36-39H,27-28H2,1H3/t36-,37+,38+,39-,42-,43+/m0/s1
InChIKey WTKUFSXSPVJDDP-DDBUCJDHSA-N
Mol Weight 660.8 g/mol
Molecular Formula C43H36N2O5
Exact Mass 660.262422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JaUAabMfZoh
Name 4-Oxa-8,9-diazatetracyclo[5.2.2.0(2,6).0(3,5)]undec-10-ene-8,9-dicarboxylic acid, 1-methyl-7,10,11-triphenyl-, bis(phenylmethyl) ester, (1.alpha.,2.beta.,3.alpha.,5.alpha.,6.beta.,7.alpha.)-
CAS Registry Number 67723-28-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H36N2O5
InChI InChI=1S/C43H36N2O5/c1-42-34(31-21-11-4-12-22-31)35(32-23-13-5-14-24-32)43(33-25-15-6-16-26-33,37-36(42)38-39(37)50-38)45(41(47)49-28-30-19-9-3-10-20-30)44(42)40(46)48-27-29-17-7-2-8-18-29/h2-26,36-39H,27-28H2,1H3/t36-,37+,38+,39-,42-,43+/m0/s1
InChIKey WTKUFSXSPVJDDP-DDBUCJDHSA-N
Molecular Weight 660.770 g/mol
SMILES [C@]12(N(N(C(OCc3ccccc3)=O)[C@](C(=C1c1ccccc1)c1ccccc1)(C)[C@@]1([C@]3([H])[C@]([C@]21[H])(O3)[H])[H])C(OCc1ccccc1)=O)c1ccccc1
SPLASH splash10-01ox-9008001000-c59390c2f737b76d86ff
Source of Spectrum B-34-868-0
Synonyms dibenzyl (1S,2R,3R,5S,6S,7S)-1-methyl-7,10,11-triphenyl-4-oxa-8,9-diazatetracyclo[5.2.2.0(2,6).0(3,5)]undec-10-ene-8,9-dicarboxylate Dibenzyl 1-methyl-7,10,11-triphenyl-cis-transoid-1,2-cis-2-transoid-2,3-cis-3-8,9-diaza-4-oxatetracyclo[5.2.2.0(2,6).0(3,5)]undec-10-ene-8,9-dicarboxylate
Wiley ID 1413593