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

*Links on SpectraBase are not permalinks.
2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate
SpectraBase Compound ID E6wvIP2FxGn
InChI InChI=1S/C18H21N3O5S/c1-3-25-18(24)15-11-6-4-5-7-13(11)27-16(15)19-14(22)10-26-17(23)12-8-9-21(2)20-12/h8-9H,3-7,10H2,1-2H3,(H,19,22)
InChIKey DKZFQLGNJXTCEU-UHFFFAOYSA-N
Mol Weight 391.44 g/mol
Molecular Formula C18H21N3O5S
Exact Mass 391.120192 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 2RvchUKV9vj
Name 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-2-oxoethyl 1-methyl-1H-pyrazole-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H21N3O5S/c1-3-25-18(24)15-11-6-4-5-7-13(11)27-16(15)19-14(22)10-26-17(23)12-8-9-21(2)20-12/h8-9H,3-7,10H2,1-2H3,(H,19,22)
InChIKey DKZFQLGNJXTCEU-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2915
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/8071503; UBI_ID: UBI-002916
Temperature 313 °C