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N-{4-[(1-adamantylamino)sulfonyl]phenyl}-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SpectraBase Compound ID 6Pg18mbJfFK
InChI InChI=1S/C30H29F2N5O3S/c31-27(32)26-13-25(21-4-2-1-3-5-21)35-28-24(17-33-37(26)28)29(38)34-22-6-8-23(9-7-22)41(39,40)36-30-14-18-10-19(15-30)12-20(11-18)16-30/h1-9,13,17-20,27,36H,10-12,14-16H2,(H,34,38)/t18-,19+,20-,30-
InChIKey YXLYKTUIJHFKEH-JNXBURMTSA-N
Mol Weight 577.65 g/mol
Molecular Formula C30H29F2N5O3S
Exact Mass 577.195917 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID At1FZ2wc5Lr
Name N-{4-[(1-adamantylamino)sulfonyl]phenyl}-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
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/C30H29F2N5O3S/c31-27(32)26-13-25(21-4-2-1-3-5-21)35-28-24(17-33-37(26)28)29(38)34-22-6-8-23(9-7-22)41(39,40)36-30-14-18-10-19(15-30)12-20(11-18)16-30/h1-9,13,17-20,27,36H,10-12,14-16H2,(H,34,38)/t18-,19+,20-,30-
InChIKey YXLYKTUIJHFKEH-JNXBURMTSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3157
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: 9315251; UBI_ID: UBI-003158
Temperature 313 °C