infrared absorption spectroscopy (IR)
URL: https://www.chemotion-repository.net/inchikey/IUJDXMHBIYUCGI-UHFFFAOYSA-N/IR
Dataset description:
dataset for infrared absorption spectroscopy (IR)\n\n
Chemical Info
| InChI | InChI=1S/C62H45N9/c1-2-3-4-21-38-67-65-62(64-66-67)57-58(68-49-30-13-5-22-40(49)41-23-6-14-31-50(41)68)48(39-63)59(69-51-32-15-7-24-42(51)43-25-8-16-33-52(43)69)61(71-55-36-19-11-28-46(55)47-29-12-20-37-56(47)71)60(57)70-53-34-17-9-26-44(53)45-27-10-18-35-54(45)70/h5-20,22-37H,2-4,21,38H2,1H3 |
|---|---|
| SMILES | CCCCCCn1nnc(n1)c1c(n2c3ccccc3c3c2cccc3)c(C#N)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2 |
| InChI Key | IUJDXMHBIYUCGI-UHFFFAOYSA-N |
| Molecular Formula | C62H45N9 |
| Exact Mass | 916.081 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 | 95b82634-bcb6-4df4-a604-d7617c60f2b7 |
| Package id | 10-14272-iujdxmhbiyucgi-uhfffaoysa-n-ir |
| Resource type | HTML |
| State | active |