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

*Links on SpectraBase are not permalinks.
methyl 2-{[2-(4-chloro-2-methylphenoxy)propanoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SpectraBase Compound ID AOWiL6vU6tC
InChI InChI=1S/C22H26ClNO4S/c1-13-12-15(23)10-11-17(13)28-14(2)20(25)24-21-19(22(26)27-3)16-8-6-4-5-7-9-18(16)29-21/h10-12,14H,4-9H2,1-3H3,(H,24,25)
InChIKey CIQYWLBKGQGPOJ-UHFFFAOYSA-N
Mol Weight 435.97 g/mol
Molecular Formula C22H26ClNO4S
Exact Mass 435.127107 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 1sengNHySJ3
Name methyl 2-{[2-(4-chloro-2-methylphenoxy)propanoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-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/C22H26ClNO4S/c1-13-12-15(23)10-11-17(13)28-14(2)20(25)24-21-19(22(26)27-3)16-8-6-4-5-7-9-18(16)29-21/h10-12,14H,4-9H2,1-3H3,(H,24,25)
InChIKey CIQYWLBKGQGPOJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_13613
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/8085171; Labnumber: NSB0036300; UZI_ID: UZI-013617
Temperature 306 °C