13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/KZMQSCMPIIKCOK-LWQDQPMZSA-N/13CNMR
Dataset description:
dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n
Source: 13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C44H29BrN4/c45-32-18-16-31(17-19-32)44-39-26-24-37(48-39)42(29-12-6-2-7-13-29)35-22-20-33(46-35)41(28-10-4-1-5-11-28)34-21-23-36(47-34)43(30-14-8-3-9-15-30)38-25-27-40(44)49-38/h1-27,46,49H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40- |
|---|---|
| SMILES | Brc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4[nH]c(/C(=C/5\N=C1C=C5)/c1ccccc1)cc4)/c1ccccc1)/C=C3)\c1ccccc1)/[nH]2 |
| InChI Key | KZMQSCMPIIKCOK-LWQDQPMZSA-N |
| Molecular Formula | C44H29BrN4 |
| Exact Mass | 693.632 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 | d1724168-5ee7-43f5-bb11-9dbcdd9652c8 |
| Package id | 10-14272-kzmqscmpiikcok-lwqdqpmzsa-n-13cnmr |
| Resource type | HTML |
| State | active |