SpectraBase Compound ID | 3YoewF82CE4 |
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InChI | InChI=1S/C27H35N3O3/c1-33-25-15-9-8-14-24(25)29-16-18-30(19-17-29)27(32)23(20-21-10-4-2-5-11-21)28-26(31)22-12-6-3-7-13-22/h2,4-5,8-11,14-15,22-23H,3,6-7,12-13,16-20H2,1H3,(H,28,31) |
InChIKey | DEQICXGZEHFHGJ-UHFFFAOYSA-N |
Mol Weight | 449.6 g/mol |
Molecular Formula | C27H35N3O3 |
Exact Mass | 449.267842 g/mol |
SpectraBase Spectrum ID | EoaCb4aj1pc |
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Name | N-{1-benzyl-2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}cyclohexanecarboxamide |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 449.267841996 u |
Formula | C27H35N3O3 |
InChI | InChI=1S/C27H35N3O3/c1-33-25-15-9-8-14-24(25)29-16-18-30(19-17-29)27(32)23(20-21-10-4-2-5-11-21)28-26(31)22-12-6-3-7-13-22/h2,4-5,8-11,14-15,22-23H,3,6-7,12-13,16-20H2,1H3,(H,28,31) |
InChIKey | DEQICXGZEHFHGJ-UHFFFAOYSA-N |
Molecular Weight | 449.595 g/mol |
NMR Offset | 18.407 |
NMR Spectrometer Frequency | 500.137 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_9231 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/13229057 |