infrared absorption spectroscopy (IR)
URL: https://www.chemotion-repository.net/inchikey/ATCQGPIEAJDZIZ-UHFFFAOYSA-N/IR.1
Dataset description:
dataset for infrared absorption spectroscopy (IR)\n\n
Chemical Info
| InChI | InChI=1S/C63H32F5N7O/c64-53-51(54(65)56(67)57(68)55(53)66)62-70-71-63(76-62)52-58(72-43-25-9-1-17-34(43)35-18-2-10-26-44(35)72)42(33-69)59(73-45-27-11-3-19-36(45)37-20-4-12-28-46(37)73)61(75-49-31-15-7-23-40(49)41-24-8-16-32-50(41)75)60(52)74-47-29-13-5-21-38(47)39-22-6-14-30-48(39)74/h1-32H |
|---|---|
| SMILES | N#Cc1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)c2c(F)c(F)c(c(c2F)F)F)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2 |
| InChI Key | ATCQGPIEAJDZIZ-UHFFFAOYSA-N |
| Molecular Formula | C63H32F5N7O |
| Exact Mass | 997.966 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 7, 2024 |
| Metadata last updated | September 7, 2024 |
| Created | September 7, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | 584aaa2e-53c6-4cae-a5fe-ea09f8176f1e |
| Package id | 10-14272-atcqgpieajdziz-uhfffaoysa-n-ir-1 |
| Resource type | HTML |
| State | active |