13C nuclear magnetic resonance spectroscopy...
URL: https://doi.org/10.14272/IBDTXQKORWUHSR-UHFFFAOYSA-N/CHMO0000595
Dataset description:
dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
InChI | InChI=1S/C21H11F17N2O3/c22-14(23,5-8-7-42-13(43-8)12-11(6-41)39-9-3-1-2-4-10(9)40-12)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h1-4,6,8,13H,5,7H2 |
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SMILES | O=Cc1nc2ccccc2nc1C1OCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1 |
InChI Key | IBDTXQKORWUHSR-UHFFFAOYSA-N |
Molecular Formula | C21H11F17N2O3 |
Exact Mass | 662.296 g/mol |
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Additional Information
Field | Value |
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Data last updated | unknown |
Metadata last updated | October 6, 2022 |
Created | unknown |
Format | HTML |
License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
Created | 2 years ago |
Id | c2d34a44-adc1-4132-a3b1-9e4ba0c7be63 |
Package id | 10-14272-ibdtxqkorwuhsr-uhfffaoysa-n-chmo0000595 |
Resource type | HTML |
State | active |