John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3FGbpAJRwKC SpectraBase Spectrum ID=2a0g867etCC

(accessed ).
4-(3,4,5-trimethoxybenzoyl)-1-piperazinecarboxylic acid, ester with 2-(bromomethyl)-2-methyl-1-pentanol
SpectraBase Compound ID 3FGbpAJRwKC
InChI InChI=1S/C22H33BrN2O6/c1-6-7-22(2,14-23)15-31-21(27)25-10-8-24(9-11-25)20(26)16-12-17(28-3)19(30-5)18(13-16)29-4/h12-13H,6-11,14-15H2,1-5H3
InChIKey UYNLAJKWEXEECB-UHFFFAOYSA-N
Mol Weight 501.4 g/mol
Molecular Formula C22H33BrN2O6
Exact Mass 500.152198 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 2a0g867etCC
Name 4-(3,4,5-TRIMETHOXYBENZOYL)-1-PIPERAZINECARBOXYLIC ACID, ESTER WITH2-(BROMOMETHYL)-2-METHYL-1-PENTANOL
Source of Sample L. Toldy, Research Institute For Pharmaceutical Chemistry, Budapest, Hungary
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H33BrN2O6
InChI InChI=1S/C22H33BrN2O6/c1-6-7-22(2,14-23)15-31-21(27)25-10-8-24(9-11-25)20(26)16-12-17(28-3)19(30-5)18(13-16)29-4/h12-13H,6-11,14-15H2,1-5H3
InChIKey UYNLAJKWEXEECB-UHFFFAOYSA-N
Melting Point 98-100C
Molecular Weight 501.43
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
SpectraBase Batch ID I9Q3kjFwMNW
Synonyms 1-PIPERAZINECARBOXYLIC ACID, 4- /3,4,5-TRIMETHOXYBENZOYL/-, ESTER WITH 2-/BROMOMETHYL/-2-METHYL-1-PENTANOL 1-PENTANOL, 2-/BROMOMETHYL/-2- METHYL-, 4-/3,4,5-TRIMETHOXYBENZOYL/- 1-PIPERAZINECARBOXYLATE