1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/MLOTWJWIBHBDDT-QGWCMNADSA-N/1HNMR
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C104H68N8.2Zn/c1-7-19-71(20-8-1)97-81-47-51-85(105-81)99(73-23-11-3-12-24-73)89-55-59-93(109-89)103(94-60-56-90(110-94)100(74-25-13-4-14-26-74)86-52-48-82(97)106-86)77-43-39-69(40-44-77)79-63-65-31-35-67(79)37-33-66-32-36-68(38-34-65)80(64-66)70-41-45-78(46-42-70)104-95-61-57-91(111-95)101(75-27-15-5-16-28-75)87-53-49-83(107-87)98(72-21-9-2-10-22-72)84-50-54-88(108-84)102(76-29-17-6-18-30-76)92-58-62-96(104)112-92;;/h1-32,35-36,39-64H,33-34,37-38H2;;/q-4;2*+2/b97-81-,97-82-,98-83-,98-84-,99-85-,99-89-,100-86-,100-90-,101-87-,101-91-,102-88-,102-92-,103-93-,103-94-,104-95-,104-96-;; |
|---|---|
| SMILES | c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c/2\n3[Zn]n4c1ccc4/C(=C\1/C=CC(=N1)/C(=c\3/cc2)/c1ccccc1)/c1ccc(cc1)c1cc2ccc1CCc1ccc(CC2)c(c1)c1ccc(cc1)/C/1=c/2\cc/c/3=C(/C4=N/C(=C(\c5n([Zn]n23)c(/C(=C/2\N=C1C=C2)/c1ccccc1)cc5)/c1ccccc1)/C=C4)\c1ccccc1)/c1ccccc1 |
| InChI Key | MLOTWJWIBHBDDT-QGWCMNADSA-N |
| Molecular Formula | C104H68N8Zn2 |
| Exact Mass | 1560.466 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 | c7d98546-490d-4972-adfc-0057c86c594a |
| Package id | 10-14272-mlotwjwibhbddt-qgwcmnadsa-n-1hnmr |
| Resource type | HTML |
| State | active |