SpectraBase Compound ID | 9kW8nM1zbRw |
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InChI | InChI=1S/C21H21ClN2O4/c1-27-18-8-7-14(22)10-17(18)23-20(25)16-6-2-4-13-11-24(21(26)19(13)16)12-15-5-3-9-28-15/h2,4,6-8,10,15H,3,5,9,11-12H2,1H3,(H,23,25) |
InChIKey | QKSWEPGCDRVIDB-UHFFFAOYSA-N |
Mol Weight | 400.86 g/mol |
Molecular Formula | C21H21ClN2O4 |
Exact Mass | 400.118985 g/mol |
SpectraBase Spectrum ID | 3APsYWE4P2v |
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Name | 1H-isoindole-4-carboxamide, N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-3-oxo-2-[(tetrahydro-2-furanyl)methyl]- |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 400.118984860 u |
Formula | C21H21ClN2O4 |
InChI | InChI=1S/C21H21ClN2O4/c1-27-18-8-7-14(22)10-17(18)23-20(25)16-6-2-4-13-11-24(21(26)19(13)16)12-15-5-3-9-28-15/h2,4,6-8,10,15H,3,5,9,11-12H2,1H3,(H,23,25) |
InChIKey | QKSWEPGCDRVIDB-UHFFFAOYSA-N |
Molecular Weight | 400.862 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2021_8574 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12719870 |