13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/HUXFCVSRCOCRDY-RRCQUFFISA-M/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/C50H38ClF30N2.ClH/c1-35(2)28-22-24(18-20-37(52,53)39(56,57)41(60,61)43(64,65)45(68,69)47(72,73)49(76,77)78)10-14-30(28)82(5)32(35)16-12-26-8-7-9-27(34(26)51)13-17-33-36(3,4)29-23-25(11-15-31(29)83(33)6)19-21-38(54,55)40(58,59)42(62,63)44(66,67)46(70,71)48(74,75)50(79,80)81;/h10-23H,7-9H2,1-6H3;1H/q+1;/p-1/b20-18+,21-19+; |
|---|---|
| SMILES | ClC1=C(CCC/C/1=C\C=C/1\N(C)c2c(C1(C)C)cc(cc2)/C=C/C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/C=C/C1=[N+](C)c2c(C1(C)C)cc(cc2)/C=C/C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[Cl-] |
| InChI Key | HUXFCVSRCOCRDY-RRCQUFFISA-M |
| Molecular Formula | C50H38Cl2F30N2 |
| Exact Mass | 1307.708 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 | 3c533eb1-3aea-4c75-9207-fedce7a9c44b |
| Package id | 10-14272-huxfcvsrcocrdy-rrcquffisa-m-chmo0000595 |
| Resource type | HTML |
| State | active |