SpectraBase Compound ID | LKvHF9BmjSi |
---|---|
InChI | InChI=1S/C24H30N4O3/c1-31-13-7-12-26-23(29)17-28-16-19(21-10-5-6-11-22(21)28)14-18(15-25)24(30)27-20-8-3-2-4-9-20/h5-6,10-11,14,16,20H,2-4,7-9,12-13,17H2,1H3,(H,26,29)(H,27,30)/b18-14+ |
InChIKey | NSDCBXNEUOAQDM-NBVRZTHBSA-N |
Mol Weight | 422.53 g/mol |
Molecular Formula | C24H30N4O3 |
Exact Mass | 422.231791 g/mol |
SpectraBase Spectrum ID | 7WmA4C2tkFf |
---|---|
Name | 1H-indole-1-acetamide, 3-[(1E)-2-cyano-3-(cyclohexylamino)-3-oxo-1-propenyl]-N-(3-methoxypropyl)- |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 422.231790839 u |
Formula | C24H30N4O3 |
InChI | InChI=1S/C24H30N4O3/c1-31-13-7-12-26-23(29)17-28-16-19(21-10-5-6-11-22(21)28)14-18(15-25)24(30)27-20-8-3-2-4-9-20/h5-6,10-11,14,16,20H,2-4,7-9,12-13,17H2,1H3,(H,26,29)(H,27,30)/b18-14+ |
InChIKey | NSDCBXNEUOAQDM-NBVRZTHBSA-N |
Molecular Weight | 422.529 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2017_16282 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/10311707; Lab Info: LD; Lab Number: LD-K000201 |