SpectraBase Compound ID | CuIom9LyAK |
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InChI | InChI=1S/C21H21ClN2O2S/c1-13-9-18(13)19-7-5-16(26-19)6-8-20(25)24-21-23-12-17(27-21)11-14-3-2-4-15(22)10-14/h2-5,7,10,12-13,18H,6,8-9,11H2,1H3,(H,23,24,25) |
InChIKey | ZHQBVRLLYNDAGB-UHFFFAOYSA-N |
Mol Weight | 400.92 g/mol |
Molecular Formula | C21H21ClN2O2S |
Exact Mass | 400.101227 g/mol |
SpectraBase Spectrum ID | IysJ7HUtLVC |
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Name | N-[5-(3-chlorobenzyl)-1,3-thiazol-2-yl]-3-[5-(2-methylcyclopropyl)-2-furyl]propanamide |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 400.101226796 u |
Formula | C21H21ClN2O2S |
InChI | InChI=1S/C21H21ClN2O2S/c1-13-9-18(13)19-7-5-16(26-19)6-8-20(25)24-21-23-12-17(27-21)11-14-3-2-4-15(22)10-14/h2-5,7,10,12-13,18H,6,8-9,11H2,1H3,(H,23,24,25) |
InChIKey | ZHQBVRLLYNDAGB-UHFFFAOYSA-N |
Molecular Weight | 400.924 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_485 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12268299 |