infrared absorption spectroscopy (IR)
URL: https://www.chemotion-repository.net/inchikey/PRWATGACIORDEL-UHFFFAOYSA-N/CHMO0000630
Dataset description:
dataset for infrared absorption spectroscopy (IR)\n\n
Chemical Info
| InChI | InChI=1S/C56H32N6/c57-33-43-53(59-45-25-9-1-17-35(45)36-18-2-10-26-46(36)59)44(34-58)55(61-49-29-13-5-21-39(49)40-22-6-14-30-50(40)61)56(62-51-31-15-7-23-41(51)42-24-8-16-32-52(42)62)54(43)60-47-27-11-3-19-37(47)38-20-4-12-28-48(38)60/h1-32H |
|---|---|
| SMILES | N#Cc1c(n2c3ccccc3c3c2cccc3)c(n2c3ccccc3c3c2cccc3)c(c(c1n1c2ccccc2c2c1cccc2)C#N)n1c2ccccc2c2c1cccc2 |
| InChI Key | PRWATGACIORDEL-UHFFFAOYSA-N |
| Molecular Formula | C56H32N6 |
| Exact Mass | 788.893 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 8, 2024 |
| Metadata last updated | September 8, 2024 |
| Created | September 8, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | c55bf546-d2a4-4fea-a8b8-456dd01f1d37 |
| Package id | 10-14272-prwatgaciordel-uhfffaoysa-n-chmo0000630 |
| Resource type | HTML |
| State | active |