high-resolution electrospray ionisation mass...
URL: https://www.chemotion-repository.net/inchikey/HSMKDBCPZWEFBC-UHFFFAOYSA-L/CHMO0000485
Dataset description:
dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)\n\n
Source: high-resolution electrospray ionisation mass spectrometry (HRESIMS)
Chemical Info
| InChI | InChI=1S/C42H56N10.2C2H3N.2CHF3O3S.2Cu/c1-39(2,3)33-21-25-49(45-33)37(50-26-22-34(46-50)40(4,5)6)31-17-13-15-29(43-31)19-20-30-16-14-18-32(44-30)38(51-27-23-35(47-51)41(7,8)9)52-28-24-36(48-52)42(10,11)12;2*1-2-3;2*2-1(3,4)8(5,6)7;;/h13-18,21-28,37-38H,19-20H2,1-12H3;2*1H3;2*(H,5,6,7);;/q;;;;;2*+1/p-2 |
|---|---|
| SMILES | FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.CC(c1ccn(n1)C(n1ccc(n1)C(C)(C)C)c1cccc(n1)CCc1cccc(n1)C(n1ccc(n1)C(C)(C)C)n1ccc(n1)C(C)(C)C)(C)C.CC#N.CC#N.[Cu+].[Cu+] |
| InChI Key | HSMKDBCPZWEFBC-UHFFFAOYSA-L |
| Molecular Formula | C48H62Cu2F6N12O6S2 |
| Exact Mass | 1208.295 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 | d84fd09b-f104-4703-98d6-c8343288af50 |
| Package id | 10-14272-hsmkdbcpzwefbc-uhfffaoysa-l-chmo0000485 |
| Resource type | HTML |
| State | active |