13C nuclear magnetic resonance spectroscopy...
URL: https://doi.org/10.14272/PJSXBWDVIGHOEZ-JLXBFWJWSA-N/CHMO0000595
Dataset description:
dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
InChI | InChI=1S/C41H25F17N6O2/c1-20-22(60-24-9-3-2-8-23(24)59-20)14-15-29-30(62-26-11-5-4-10-25(26)61-29)16-17-31-32(64-28-13-7-6-12-27(28)63-31)33-65-19-21(66-33)18-34(42,43)35(44,45)36(46,47)37(48,49)38(50,51)39(52,53)40(54,55)41(56,57)58/h2-17,21,33H,18-19H2,1H3/b15-14+,17-16+ |
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SMILES | Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1C1OCC(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 | PJSXBWDVIGHOEZ-JLXBFWJWSA-N |
Molecular Formula | C41H25F17N6O2 |
Exact Mass | 956.657 g/mol |
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Additional Information
Field | Value |
---|---|
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 | 5679d084-57c8-45e1-9249-ba9d769be0f8 |
Package id | 10-14272-pjsxbwdvighoez-jlxbfwjwsa-n-chmo0000595 |
Resource type | HTML |
State | active |