SpectraBase Compound ID | 8D0RFZIroAo |
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InChI | InChI=1S/C27H30ClN3O3S2/c28-24-12-10-22(11-13-24)26(21-6-2-1-3-7-21)29-15-17-30(18-16-29)27(32)23-8-4-14-31(20-23)36(33,34)25-9-5-19-35-25/h1-3,5-7,9-13,19,23,26H,4,8,14-18,20H2 |
InChIKey | LOGAJDGCHZWOPB-UHFFFAOYSA-N |
Mol Weight | 544.13 g/mol |
Molecular Formula | C27H30ClN3O3S2 |
Exact Mass | 543.141712 g/mol |
SpectraBase Spectrum ID | 5joNDdsfjx7 |
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Name | 1-[(4-chlorophenyl)(phenyl)methyl]-4-{[1-(2-thienylsulfonyl)-3-piperidinyl]carbonyl}piperazine |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 543.141711883 u |
Formula | C27H30ClN3O3S2 |
InChI | InChI=1S/C27H30ClN3O3S2/c28-24-12-10-22(11-13-24)26(21-6-2-1-3-7-21)29-15-17-30(18-16-29)27(32)23-8-4-14-31(20-23)36(33,34)25-9-5-19-35-25/h1-3,5-7,9-13,19,23,26H,4,8,14-18,20H2 |
InChIKey | LOGAJDGCHZWOPB-UHFFFAOYSA-N |
Molecular Weight | 544.128 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_2931 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12288211 |