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methyl 2-{[(4-methylphenoxy)acetyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SpectraBase Compound ID F5e8yUQl7xk
InChI InChI=1S/C21H25NO4S/c1-14-9-11-15(12-10-14)26-13-18(23)22-20-19(21(24)25-2)16-7-5-3-4-6-8-17(16)27-20/h9-12H,3-8,13H2,1-2H3,(H,22,23)
InChIKey NVQMKBFNTPPLKT-UHFFFAOYSA-N
Mol Weight 387.49 g/mol
Molecular Formula C21H25NO4S
Exact Mass 387.150429 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3axKlj5BoX1
Name methyl 2-{[(4-methylphenoxy)acetyl]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/C21H25NO4S/c1-14-9-11-15(12-10-14)26-13-18(23)22-20-19(21(24)25-2)16-7-5-3-4-6-8-17(16)27-20/h9-12H,3-8,13H2,1-2H3,(H,22,23)
InChIKey NVQMKBFNTPPLKT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_19802
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/9157630; Labnumber: U_AM_ACK/016478; UZI_ID: UZI-019810
Temperature 318 °C