infrared absorption spectroscopy (IR)...
URL: https://doi.org/10.14272/OZFODNQXICACNC-UPXLXJCHSA-N/CHMO0000630
Dataset description:
dataset for infrared absorption spectroscopy (IR)
Chemical Info
| InChI | InChI=1S/C49H29F17N8O/c1-26-27(68-29-11-3-2-10-28(29)67-26)18-19-36-37(70-31-13-5-4-12-30(31)69-36)20-21-38-39(72-33-15-7-6-14-32(33)71-38)22-23-40-41(74-35-17-9-8-16-34(35)73-40)75-25-24-42(50,51)43(52,53)44(54,55)45(56,57)46(58,59)47(60,61)48(62,63)49(64,65)66/h2-23H,24-25H2,1H3/b19-18+,21-20+,23-22+ |
|---|---|
| SMILES | Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/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 | OZFODNQXICACNC-UPXLXJCHSA-N |
| Molecular Formula | C49H29F17N8O |
| Exact Mass | 1068.792 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 | a6de15f9-2cd2-4dc6-83b4-bf3c8f48f9d6 |
| Package id | 10-14272-ozfodnqxicacnc-upxlxjchsa-n-chmo0000630 |
| Resource type | HTML |
| State | active |