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methyl 2-{[(4-allyl-2-methoxyphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 1Cy5y4o3yLw
InChI InChI=1S/C22H25NO5S/c1-4-7-14-10-11-16(17(12-14)26-2)28-13-19(24)23-21-20(22(25)27-3)15-8-5-6-9-18(15)29-21/h4,10-12H,1,5-9,13H2,2-3H3,(H,23,24)
InChIKey LJVCCPOSAAXPII-UHFFFAOYSA-N
Mol Weight 415.5 g/mol
Molecular Formula C22H25NO5S
Exact Mass 415.145344 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F7nuREliFkk
Name methyl 2-{[(4-allyl-2-methoxyphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-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/C22H25NO5S/c1-4-7-14-10-11-16(17(12-14)26-2)28-13-19(24)23-21-20(22(25)27-3)15-8-5-6-9-18(15)29-21/h4,10-12H,1,5-9,13H2,2-3H3,(H,23,24)
InChIKey LJVCCPOSAAXPII-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4054
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/8115099; UBI_ID: UBI-004055
Temperature 318 °C