1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/GCLRGDQVYLWFGV-UHFFFAOYSA-N/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C82H38F24N12O4/c1-121-73(119)33-7-3-31(4-8-33)63-107-55-27-51-52(28-56(55)108-63)66-111-65(51)113-69-59-47(35-15-39(75(83,84)85)23-40(16-35)76(86,87)88)11-13-49(37-19-43(79(95,96)97)25-44(20-37)80(98,99)100)61(59)71(117-69)115-67-53-29-57-58(110-64(109-57)32-5-9-34(10-6-32)74(120)122-2)30-54(53)68(112-67)116-72-62-50(38-21-45(81(101,102)103)26-46(22-38)82(104,105)106)14-12-48(60(62)70(114-66)118-72)36-17-41(77(89,90)91)24-42(18-36)78(92,93)94/h3-30H,1-2H3,(H,107,108)(H,109,110)(H2,111,112,113,114,115,116,117,118) |
|---|---|
| SMILES | COC(=O)c1ccc(cc1)c1[nH]c2c(n1)cc1c(c2)/C/2=N/c3[nH]c(c4c3c(ccc4c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)/N=C/3\N=C(/N=c/4\[nH]/c(=N\C1=N2)/c1c(ccc(c41)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c3cc2c(c1)[nH]c(n2)c1ccc(cc1)C(=O)OC |
| InChI Key | GCLRGDQVYLWFGV-UHFFFAOYSA-N |
| Molecular Formula | C82H38F24N12O4 |
| Exact Mass | 1711.219 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | March 9, 2025 |
| Metadata last updated | March 9, 2025 |
| Created | March 9, 2025 |
| Format | HTML |
| License | No License Provided |
| Id | 7572ed16-a996-4fe6-8d2e-9a330cdd35c9 |
| Package id | 10-14272-gclrgdqvylwfgv-uhfffaoysa-n-chmo0000593 |
| Resource type | HTML |
| State | active |