SpectraBase Compound ID | 2Ra1kMJvKg |
---|---|
InChI | InChI=1S/C20H31N3O2/c1-4-15(3)18(20(25)22-13-16-6-5-11-21-12-16)23-19(24)17-9-7-14(2)8-10-17/h5-6,11-12,14-15,17-18H,4,7-10,13H2,1-3H3,(H,22,25)(H,23,24)/t14-,15?,17-,18? |
InChIKey | APVJNUPPWPHMHA-ROKGUOHRSA-N |
Mol Weight | 345.49 g/mol |
Molecular Formula | C20H31N3O2 |
Exact Mass | 345.241627 g/mol |
SpectraBase Spectrum ID | 10kYLZxTxlO |
---|---|
Name | cyclohexanecarboxamide, 4-methyl-N-[2-methyl-1-[[(3-pyridinylmethyl)amino]carbonyl]butyl]- |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 345.241627248 u |
Formula | C20H31N3O2 |
InChI | InChI=1S/C20H31N3O2/c1-4-15(3)18(20(25)22-13-16-6-5-11-21-12-16)23-19(24)17-9-7-14(2)8-10-17/h5-6,11-12,14-15,17-18H,4,7-10,13H2,1-3H3,(H,22,25)(H,23,24)/t14-,15?,17-,18? |
InChIKey | APVJNUPPWPHMHA-ROKGUOHRSA-N |
Molecular Weight | 345.487 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2021_4742 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/13288457 |