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

*Links on SpectraBase are not permalinks.

Benzoic acid, 4-[[4-[[4-(1,1-dimethylethyl)cyclohexyl]oxy]-1,4-dioxobutyl]amino]-, methyl ester

View entire compound with spectra: 2 NMR

Benzoic acid, 4-[[4-[[4-(1,1-dimethylethyl)cyclohexyl]oxy]-1,4-dioxobutyl]amino]-, methyl ester
SpectraBase Compound ID 5JseEfszf77
InChI InChI=1S/C22H31NO5/c1-22(2,3)16-7-11-18(12-8-16)28-20(25)14-13-19(24)23-17-9-5-15(6-10-17)21(26)27-4/h5-6,9-10,16,18H,7-8,11-14H2,1-4H3,(H,23,24)
InChIKey HTVDTBDGZCUMRI-UHFFFAOYSA-N
Mol Weight 389.49 g/mol
Molecular Formula C22H31NO5
Exact Mass 389.220223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID HwRdrEKmnRU
Name Benzoic acid, 4-[[4-[[4-(1,1-dimethylethyl)cyclohexyl]oxy]-1,4-dioxobutyl]amino]-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.220223097 u
Formula C22H31NO5
InChI InChI=1S/C22H31NO5/c1-22(2,3)16-7-11-18(12-8-16)28-20(25)14-13-19(24)23-17-9-5-15(6-10-17)21(26)27-4/h5-6,9-10,16,18H,7-8,11-14H2,1-4H3,(H,23,24)
InChIKey HTVDTBDGZCUMRI-UHFFFAOYSA-N
Molecular Weight 389.492 g/mol
SMILES N(C(=O)CCC(OC1CCC(C(C)(C)C)CC1)=O)C1=CC=C(C(=O)OC)C=C1