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

*Links on SpectraBase are not permalinks.
1,2-Cyclohexanedicarboxylic acid, bis[(4-nitrophenyl)methyl] ester
SpectraBase Compound ID jVpjVSGKfm
InChI InChI=1S/C22H22N2O8/c25-21(31-13-15-5-9-17(10-6-15)23(27)28)19-3-1-2-4-20(19)22(26)32-14-16-7-11-18(12-8-16)24(29)30/h5-12,19-20H,1-4,13-14H2
InChIKey OCNWADGDRQMUHM-UHFFFAOYSA-N
Mol Weight 442.42 g/mol
Molecular Formula C22H22N2O8
Exact Mass 442.137616 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 GbM2NdL1oiA
Name 1,2-Cyclohexanedicarboxylic acid, bis[(4-nitrophenyl)methyl] ester
Alternate Name(s) Bis(4-nitrobenzyl) cyclohexane-1,2-dicarboxylate Cyclohexane-1,2-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester Bis[(4-nitrophenyl)methyl] cyclohexane-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O8
InChI InChI=1S/C22H22N2O8/c25-21(31-13-15-5-9-17(10-6-15)23(27)28)19-3-1-2-4-20(19)22(26)32-14-16-7-11-18(12-8-16)24(29)30/h5-12,19-20H,1-4,13-14H2
InChIKey OCNWADGDRQMUHM-UHFFFAOYSA-N
Molecular Weight 442.424 g/mol
SMILES C(=O)(OCc1ccc(cc1)[N+]([O-])=O)C1CCCCC1C(=O)OCc1ccc(cc1)[N+]([O-])=O
SPLASH splash10-000i-5940000000-ad1ff26f7fdfb4bb3ce3
Source of Spectrum JX-2015-4-505
Wiley ID 1725937