13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/PHLLCTCFMJCYOP-UHFFFAOYSA-N/CHMO0000595
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/C65H41N7O3/c1-73-56-36-19-37-57(74-2)58(56)64-67-68-65(75-64)59-60(69-48-28-11-3-20-39(48)40-21-4-12-29-49(40)69)47(38-66)61(70-50-30-13-5-22-41(50)42-23-6-14-31-51(42)70)63(72-54-34-17-9-26-45(54)46-27-10-18-35-55(46)72)62(59)71-52-32-15-7-24-43(52)44-25-8-16-33-53(44)71/h3-37H,1-2H3 |
|---|---|
| SMILES | COc1cccc(c1c1nnc(o1)c1c(n2c3ccccc3c3c2cccc3)c(C#N)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)OC |
| InChI Key | PHLLCTCFMJCYOP-UHFFFAOYSA-N |
| Molecular Formula | C65H41N7O3 |
| Exact Mass | 968.066 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 | 411f98d9-f314-4851-b9b1-512a31197478 |
| Package id | 10-14272-phllctcfmjcyop-uhfffaoysa-n-chmo0000595 |
| Resource type | HTML |
| State | active |