1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/KPWQQWDWVILYLB-UHFFFAOYSA-N/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C64H32F15N7O/c65-58(66,59(67,68)60(69,70)61(71,72)62(73,74)63(75,76)64(77,78)79)57-82-81-56(87-57)51-52(83-43-25-9-1-17-34(43)35-18-2-10-26-44(35)83)42(33-80)53(84-45-27-11-3-19-36(45)37-20-4-12-28-46(37)84)55(86-49-31-15-7-23-40(49)41-24-8-16-32-50(41)86)54(51)85-47-29-13-5-21-38(47)39-22-6-14-30-48(39)85/h1-32H |
|---|---|
| SMILES | N#Cc1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2 |
| InChI Key | KPWQQWDWVILYLB-UHFFFAOYSA-N |
| Molecular Formula | C64H32F15N7O |
| Exact Mass | 1199.961 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 | c63e866d-b61c-40b7-aa32-d86bea7d9099 |
| Package id | 10-14272-kpwqqwdwvilylb-uhfffaoysa-n-chmo0000593 |
| Resource type | HTML |
| State | active |