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

*Links on SpectraBase are not permalinks.

2-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-4-methyl-5-[oxo(1-piperidinyl)methyl]-3-thiophenecarboxylic acid ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-4-methyl-5-[oxo(1-piperidinyl)methyl]-3-thiophenecarboxylic acid ethyl ester
SpectraBase Compound ID 7lHtTIbQnNd
InChI InChI=1S/C21H22ClN3O6S/c1-3-31-21(28)16-12(2)17(20(27)24-9-5-4-6-10-24)32-19(16)23-18(26)14-11-13(25(29)30)7-8-15(14)22/h7-8,11H,3-6,9-10H2,1-2H3,(H,23,26)
InChIKey LVUVPFZZEGZOMT-UHFFFAOYSA-N
Mol Weight 479.94 g/mol
Molecular Formula C21H22ClN3O6S
Exact Mass 479.091784 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H 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 CiJYBtdteEt
Name 3-thiophenecarboxylic acid, 2-[(2-chloro-5-nitrobenzoyl)amino]-4-methyl-5-(1-piperidinylcarbonyl)-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 479.091784308 u
Formula C21H22ClN3O6S
InChI InChI=1S/C21H22ClN3O6S/c1-3-31-21(28)16-12(2)17(20(27)24-9-5-4-6-10-24)32-19(16)23-18(26)14-11-13(25(29)30)7-8-15(14)22/h7-8,11H,3-6,9-10H2,1-2H3,(H,23,26)
InChIKey LVUVPFZZEGZOMT-UHFFFAOYSA-N
Molecular Weight 479.935 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9548
Solvent DMSO-d6
Source Vendor ID: NMR/10240554; Lab Info: DS; Lab Number: DS-0001140
Temperature 23.85 °C