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N-[1-(1-adamantyl)-1H-pyrazol-3-yl]-4-butylbenzenesulfonamide
SpectraBase Compound ID JDC7ePbCEM5
InChI InChI=1S/C23H31N3O2S/c1-2-3-4-17-5-7-21(8-6-17)29(27,28)25-22-9-10-26(24-22)23-14-18-11-19(15-23)13-20(12-18)16-23/h5-10,18-20H,2-4,11-16H2,1H3,(H,24,25)/t18-,19+,20-,23-
InChIKey AAUXPVDHWCNLPA-UKBVAGSOSA-N
Mol Weight 413.58 g/mol
Molecular Formula C23H31N3O2S
Exact Mass 413.213698 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EtANxb5jPsV
Name N-[1-(1-adamantyl)-1H-pyrazol-3-yl]-4-butylbenzenesulfonamide
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/C23H31N3O2S/c1-2-3-4-17-5-7-21(8-6-17)29(27,28)25-22-9-10-26(24-22)23-14-18-11-19(15-23)13-20(12-18)16-23/h5-10,18-20H,2-4,11-16H2,1H3,(H,24,25)/t18-,19+,20-,23-
InChIKey AAUXPVDHWCNLPA-UKBVAGSOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14919
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/1021336; UBI_ID: UBI-014922
Temperature 318 °C