1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/GTLCGGWORFMIIL-WXBFSDFVSA-N/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C65H56N6O5/c1-5-6-7-8-9-18-37-76-63-58(68-54-23-16-17-24-55(54)71-63)36-35-57-56(69-61-39-49(43-19-12-10-13-20-43)50(40-62(61)70-57)44-21-14-11-15-22-44)34-33-53-42(2)66-59-38-51(45-25-29-47(30-26-45)64(72)74-3)52(41-60(59)67-53)46-27-31-48(32-28-46)65(73)75-4/h10-17,19-36,38-41H,5-9,18,37H2,1-4H3/b34-33+,36-35+ |
|---|---|
| SMILES | CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2cc(c3ccccc3)c(cc2nc1/C=C/c1nc2cc(c3ccc(cc3)C(=O)OC)c(cc2nc1C)c1ccc(cc1)C(=O)OC)c1ccccc1 |
| InChI Key | GTLCGGWORFMIIL-WXBFSDFVSA-N |
| Molecular Formula | C65H56N6O5 |
| Exact Mass | 1001.177 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 8, 2024 |
| Metadata last updated | September 8, 2024 |
| Created | September 8, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | 2ba74f33-0615-4900-9b18-5bf5496f6987 |
| Package id | 10-14272-gtlcggworfmiil-wxbfsdfvsa-n-chmo0000593 |
| Resource type | HTML |
| State | active |