high-resolution electrospray ionisation mass...
URL: https://www.chemotion-repository.net/inchikey/CTVCMXWPORVIRI-UHFFFAOYSA-N/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/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/h13-18,21-28,37-38H,19-20H2,1-12H3 |
|---|---|
| SMILES | 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 |
| InChI Key | CTVCMXWPORVIRI-UHFFFAOYSA-N |
| Molecular Formula | C42H56N10 |
| Exact Mass | 700.961 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 | 257981c6-88f3-4814-a1d9-845e1ce77628 |
| Package id | 10-14272-ctvcmxwporviri-uhfffaoysa-n-chmo0000485 |
| Resource type | HTML |
| State | active |