SpectraBase Compound ID | 1w2ItwAYdha |
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InChI | InChI=1S/C22H21N3O4S2/c1-14-8-10-15(11-9-14)13-18-21(29)25(22(30)31-18)12-4-7-19(27)23-24-20(28)16-5-2-3-6-17(16)26/h2-3,5-6,8-11,13,26H,4,7,12H2,1H3,(H,23,27)(H,24,28)/b18-13- |
InChIKey | RHOVPAIIXAFCFZ-AQTBWJFISA-N |
Mol Weight | 455.55 g/mol |
Molecular Formula | C22H21N3O4S2 |
Exact Mass | 455.097349 g/mol |
SpectraBase Spectrum ID | FQbLQ7vdih1 |
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Name | N'-(2-hydroxybenzoyl)-4-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanohydrazide |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 455.097348512 u |
Formula | C22H21N3O4S2 |
InChI | InChI=1S/C22H21N3O4S2/c1-14-8-10-15(11-9-14)13-18-21(29)25(22(30)31-18)12-4-7-19(27)23-24-20(28)16-5-2-3-6-17(16)26/h2-3,5-6,8-11,13,26H,4,7,12H2,1H3,(H,23,27)(H,24,28)/b18-13- |
InChIKey | RHOVPAIIXAFCFZ-AQTBWJFISA-N |
Molecular Weight | 455.547 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_2564 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12279653 |