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diethyl 5-[(1-adamantylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
SpectraBase Compound ID 9CQw7rQIUvp
InChI InChI=1S/C22H29NO5S/c1-4-27-19(24)16-12(3)17(20(25)28-5-2)29-18(16)23-21(26)22-9-13-6-14(10-22)8-15(7-13)11-22/h13-15H,4-11H2,1-3H3,(H,23,26)/t13-,14+,15-,22-
InChIKey GHDSXPTWBLLTOB-CNNQHEGBSA-N
Mol Weight 419.54 g/mol
Molecular Formula C22H29NO5S
Exact Mass 419.176644 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CajtwO9PBFF
Name diethyl 5-[(1-adamantylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
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/C22H29NO5S/c1-4-27-19(24)16-12(3)17(20(25)28-5-2)29-18(16)23-21(26)22-9-13-6-14(10-22)8-15(7-13)11-22/h13-15H,4-11H2,1-3H3,(H,23,26)/t13-,14+,15-,22-
InChIKey GHDSXPTWBLLTOB-CNNQHEGBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2432
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: 9182344; UBI_ID: UBI-002433
Temperature 318 °C