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

*Links on SpectraBase are not permalinks.
meso-2,3-Dimethyl-1,4-bis[3,4-(phenylpiperidine-1-carboxylate)]butane
SpectraBase Compound ID Jpbjt68Iji4
InChI InChI=1S/C42H58N4O8/c1-31(27-33-15-17-35(51-39(47)43-19-7-3-8-20-43)37(29-33)53-41(49)45-23-11-5-12-24-45)32(2)28-34-16-18-36(52-40(48)44-21-9-4-10-22-44)38(30-34)54-42(50)46-25-13-6-14-26-46/h15-18,29-32H,3-14,19-28H2,1-2H3/t31-,32+
InChIKey HPRIXUWSJQGFMX-MEKGRNQZSA-N
Mol Weight 746.9 g/mol
Molecular Formula C42H58N4O8
Exact Mass 746.425465 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 FPkACKey7Q6
Name meso-2,3-Dimethyl-1,4-bis[3,4-(phenylpiperidine-1-carboxylate)]butane
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H58N4O8
InChI InChI=1S/C42H58N4O8/c1-31(27-33-15-17-35(51-39(47)43-19-7-3-8-20-43)37(29-33)53-41(49)45-23-11-5-12-24-45)32(2)28-34-16-18-36(52-40(48)44-21-9-4-10-22-44)38(30-34)54-42(50)46-25-13-6-14-26-46/h15-18,29-32H,3-14,19-28H2,1-2H3/t31-,32+
InChIKey HPRIXUWSJQGFMX-MEKGRNQZSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Molecular Weight 746.946 g/mol
Reported Formula C42H58N4O8
SMILES c1c(c(ccc1C[C@]([C@](Cc1ccc(c(c1)OC(N1CCCCC1)=O)OC(N1CCCCC1)=O)(C)[H])(C)[H])OC(=O)N1CCCCC1)OC(=O)N1CCCCC1
SPLASH splash10-03di-2900030000-55ce26fe99705faad56f
Source of Spectrum US7741357B1
Thin-Layer Chromatography Rf = 10.51 (50% EtOAc/hexane)
Wiley ID 1842610