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isopropyl 2-[(1-adamantylacetyl)amino]-5-(aminocarbonyl)-4-methyl-3-thiophenecarboxylate
SpectraBase Compound ID COGNgnW88gK
InChI InChI=1S/C22H30N2O4S/c1-11(2)28-21(27)17-12(3)18(19(23)26)29-20(17)24-16(25)10-22-7-13-4-14(8-22)6-15(5-13)9-22/h11,13-15H,4-10H2,1-3H3,(H2,23,26)(H,24,25)/t13-,14+,15-,22-
InChIKey OXBIOCCXENWFFY-CNNQHEGBSA-N
Mol Weight 418.55 g/mol
Molecular Formula C22H30N2O4S
Exact Mass 418.192629 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gm7Bt2wZr9l
Name isopropyl 2-[(1-adamantylacetyl)amino]-5-(aminocarbonyl)-4-methyl-3-thiophenecarboxylate
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/C22H30N2O4S/c1-11(2)28-21(27)17-12(3)18(19(23)26)29-20(17)24-16(25)10-22-7-13-4-14(8-22)6-15(5-13)9-22/h11,13-15H,4-10H2,1-3H3,(H2,23,26)(H,24,25)/t13-,14+,15-,22-
InChIKey OXBIOCCXENWFFY-CNNQHEGBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19127
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/9136022; UBI_ID: UBI-019130
Temperature 318 °C