13C nuclear magnetic resonance spectroscopy...
URL: https://doi.org/10.14272/BVIOUVOOSLTMGZ-ZBMVRHCNSA-N/CHMO0000595
Dataset description:
dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
InChI | InChI=1S/C39H21F17N6O2/c40-32(41,33(42,43)34(44,45)35(46,47)36(48,49)37(50,51)38(52,53)39(54,55)56)17-18-64-31-29(60-24-11-5-6-12-25(24)62-31)16-15-27-26(57-20-7-1-2-8-21(20)58-27)13-14-28-30(19-63)61-23-10-4-3-9-22(23)59-28/h1-16,19H,17-18H2/b14-13+,16-15+ |
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SMILES | O=Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
InChI Key | BVIOUVOOSLTMGZ-ZBMVRHCNSA-N |
Molecular Formula | C39H21F17N6O2 |
Exact Mass | 928.603 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 | 6fcc5dc1-cd61-46ac-aeb7-16d30b6317a2 |
Package id | 10-14272-bviouvoosltmgz-zbmvrhcnsa-n-chmo0000595 |
Resource type | HTML |
State | active |