SpectraBase Compound ID | 2jty3s8SOsJ |
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InChI | InChI=1S/C21H31N3O7/c1-4-31-21(28)24-9-7-16(8-10-24)23-20(27)17-11-14(5-6-15(17)13-25)19(26)22-12-18(29-2)30-3/h5-6,11,16,18,25H,4,7-10,12-13H2,1-3H3,(H,22,26)(H,23,27) |
InChIKey | SXLAQRNYORFYGN-UHFFFAOYSA-N |
Mol Weight | 437.49 g/mol |
Molecular Formula | C21H31N3O7 |
Exact Mass | 437.2162 g/mol |
SpectraBase Spectrum ID | h24FzMRECI |
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Name | 1-piperidinecarboxylic acid, 4-[[5-[[(2,2-dimethoxyethyl)amino]carbonyl]-2-(hydroxymethyl)benzoyl]amino]-, ethyl ester |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 437.216200343 u |
Formula | C21H31N3O7 |
InChI | InChI=1S/C21H31N3O7/c1-4-31-21(28)24-9-7-16(8-10-24)23-20(27)17-11-14(5-6-15(17)13-25)19(26)22-12-18(29-2)30-3/h5-6,11,16,18,25H,4,7-10,12-13H2,1-3H3,(H,22,26)(H,23,27) |
InChIKey | SXLAQRNYORFYGN-UHFFFAOYSA-N |
Molecular Weight | 437.493 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2021_2613 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12688195 |