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N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-5-isoxazolecarboxamide
SpectraBase Compound ID 6XNKgz2bJGJ
InChI InChI=1S/C23H23ClFN3O2S/c24-15-2-1-3-16(25)20(15)17-7-18(30-28-17)21(29)27-22-26-19(11-31-22)23-8-12-4-13(9-23)6-14(5-12)10-23/h1-3,11-14,18H,4-10H2,(H,26,27,29)/t12-,13+,14-,18?,23-
InChIKey NCTHTGKWUXJTBK-IBFSXQSYSA-N
Mol Weight 459.97 g/mol
Molecular Formula C23H23ClFN3O2S
Exact Mass 459.118354 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LXArsfGminp
Name N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-5-isoxazolecarboxamide
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/C23H23ClFN3O2S/c24-15-2-1-3-16(25)20(15)17-7-18(30-28-17)21(29)27-22-26-19(11-31-22)23-8-12-4-13(9-23)6-14(5-12)10-23/h1-3,11-14,18H,4-10H2,(H,26,27,29)/t12-,13+,14-,18?,23-
InChIKey NCTHTGKWUXJTBK-IBFSXQSYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32746
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: 1911493; SBI_ID: SBI-032750
Temperature 315 °C