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ethyl 2-[(2-ethylhexanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SpectraBase Compound ID k7a2FPURiU
InChI InChI=1S/C21H33NO3S/c1-4-7-12-15(5-2)19(23)22-20-18(21(24)25-6-3)16-13-10-8-9-11-14-17(16)26-20/h15H,4-14H2,1-3H3,(H,22,23)
InChIKey NMDRGQXRJFBXFE-UHFFFAOYSA-N
Mol Weight 379.6 g/mol
Molecular Formula C21H33NO3S
Exact Mass 379.218115 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LSF5nDx0xU3
Name ethyl 2-[(2-ethylhexanoyl)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/C21H33NO3S/c1-4-7-12-15(5-2)19(23)22-20-18(21(24)25-6-3)16-13-10-8-9-11-14-17(16)26-20/h15H,4-14H2,1-3H3,(H,22,23)
InChIKey NMDRGQXRJFBXFE-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4387
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/8118047; UBI_ID: UBI-004388
Temperature 313 °C