infrared absorption spectroscopy (IR)
URL: https://www.chemotion-repository.net/inchikey/YWTIJCZLLIZCKX-UHFFFAOYSA-N/IR
Dataset description:
dataset for infrared absorption spectroscopy (IR)\n\n
Chemical Info
| InChI | InChI=1S/C70H41N7O2/c71-42-54-64(74-55-30-12-4-22-46(55)47-23-5-13-31-56(47)74)63(70-73-72-69(79-70)45-40-38-44(39-41-45)68(78)43-20-2-1-3-21-43)66(76-59-34-16-8-26-50(59)51-27-9-17-35-60(51)76)67(77-61-36-18-10-28-52(61)53-29-11-19-37-62(53)77)65(54)75-57-32-14-6-24-48(57)49-25-7-15-33-58(49)75/h1-41H |
|---|---|
| SMILES | N#Cc1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)c2ccc(cc2)C(=O)c2ccccc2)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2 |
| InChI Key | YWTIJCZLLIZCKX-UHFFFAOYSA-N |
| Molecular Formula | C70H41N7O2 |
| Exact Mass | 1012.120 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 | c78536fc-c98e-4f47-a221-9d69d73062e4 |
| Package id | 10-14272-ywtijczllizckx-uhfffaoysa-n-ir |
| Resource type | HTML |
| State | active |