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4-(1-adamantyl)-N-(2-methyl-1-{[(6-methyl-2-pyridinyl)amino]carbonyl}propyl)benzamide
SpectraBase Compound ID 9OB7rPbcMmM
InChI InChI=1S/C28H35N3O2/c1-17(2)25(27(33)30-24-6-4-5-18(3)29-24)31-26(32)22-7-9-23(10-8-22)28-14-19-11-20(15-28)13-21(12-19)16-28/h4-10,17,19-21,25H,11-16H2,1-3H3,(H,31,32)(H,29,30,33)/t19-,20+,21-,25?,28-
InChIKey NTSACAVBFVGKDN-NVAGXVRESA-N
Mol Weight 445.6 g/mol
Molecular Formula C28H35N3O2
Exact Mass 445.272927 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JNGE6UA3vuP
Name 4-(1-adamantyl)-N-(2-methyl-1-{[(6-methyl-2-pyridinyl)amino]carbonyl}propyl)benzamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.272927377 u
Formula C28H35N3O2
InChI InChI=1S/C28H35N3O2/c1-17(2)25(27(33)30-24-6-4-5-18(3)29-24)31-26(32)22-7-9-23(10-8-22)28-14-19-11-20(15-28)13-21(12-19)16-28/h4-10,17,19-21,25H,11-16H2,1-3H3,(H,31,32)(H,29,30,33)/t19-,20+,21-,25?,28-
InChIKey NTSACAVBFVGKDN-NVAGXVRESA-N
Molecular Weight 445.607 g/mol
NMR Offset 18.4066
NMR Spectrometer Frequency 500.137
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9238
Solvent DMSO-d6
Source Vendor ID: NMR/13229072