infrared absorption spectroscopy (IR)
URL: https://www.chemotion-repository.net/inchikey/BKRXNLXTVKSIIL-YTJYWMACSA-N/CHMO0000630
Dataset description:
dataset for infrared absorption spectroscopy (IR)\n\n
Chemical Info
| InChI | InChI=1S/C54H40N6O4/c1-3-63-53(61)35-11-7-33(8-12-35)49-39-17-21-43(57-39)51(37-15-5-31-25-27-55-47(31)29-37)45-23-19-41(59-45)50(34-9-13-36(14-10-34)54(62)64-4-2)42-20-24-46(60-42)52(44-22-18-40(49)58-44)38-16-6-32-26-28-56-48(32)30-38/h5-30,55-57,60H,3-4H2,1-2H3/b49-39-,49-40-,50-41-,50-42-,51-43-,51-45-,52-44-,52-46- |
|---|---|
| SMILES | CCOC(=O)c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1ccc4c(c1)[nH]cc4)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1ccc2c(c1)[nH]cc2 |
| InChI Key | BKRXNLXTVKSIIL-YTJYWMACSA-N |
| Molecular Formula | C54H40N6O4 |
| Exact Mass | 836.933 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 | c66380a8-fa09-49a0-8db1-7ec899ebd3b1 |
| Package id | 10-14272-bkrxnlxtvksiil-ytjywmacsa-n-chmo0000630 |
| Resource type | HTML |
| State | active |