SpectraBase Compound ID | KxGZiJ2CjGG |
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InChI | InChI=1S/C22H29NO3/c1-13(2)19(21(25)26)23-20(24)17-3-5-18(6-4-17)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,13-16,19H,7-12H2,1-2H3,(H,23,24)(H,25,26)/t14-,15+,16-,19?,22- |
InChIKey | PRKZFRQGWUQYOG-OVAGRXEJSA-N |
Mol Weight | 355.48 g/mol |
Molecular Formula | C22H29NO3 |
Exact Mass | 355.214744 g/mol |
SpectraBase Spectrum ID | LTPv5TR6gT0 |
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Name | valine, N-(4-tricyclo[3.3.1.1~3,7~]dec-1-ylbenzoyl)- |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 355.214743795 u |
Formula | C22H29NO3 |
InChI | InChI=1S/C22H29NO3/c1-13(2)19(21(25)26)23-20(24)17-3-5-18(6-4-17)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,13-16,19H,7-12H2,1-2H3,(H,23,24)(H,25,26)/t14-,15+,16-,19?,22- |
InChIKey | PRKZFRQGWUQYOG-OVAGRXEJSA-N |
Molecular Weight | 355.478 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2017_12374 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/10272111; Lab Info: AI; Lab Number: AI-S001350 |