atmospheric pressure chemical ionisation mass...
URL: https://www.chemotion-repository.net/inchikey/VBWHPRBMTJBBBQ-PECPSLTQSA-N/CHMO0000473
Dataset description:
dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)\n\n
Source: atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
Chemical Info
| InChI | InChI=1S/C22H24N2O4/c1-5-18(25)23-20-12(2)22(15-9-7-6-8-14(15)21(26)24-22)16-10-13(27-3)11-17(28-4)19(16)20/h6-12,20H,5H2,1-4H3,(H,23,25)(H,24,26)/t12-,20-,22+/m1/s1 |
|---|---|
| SMILES | CCC(=O)N[C@H]1c2c(OC)cc(cc2[C@@]2([C@@H]1C)NC(=O)c1c2cccc1)OC |
| InChI Key | VBWHPRBMTJBBBQ-PECPSLTQSA-N |
| Molecular Formula | C22H24N2O4 |
| Exact Mass | 380.437 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 | 2514ce12-879e-4839-83a3-aaea5581b23e |
| Package id | 10-14272-vbwhprbmtjbbbq-pecpsltqsa-n-chmo0000473 |
| Resource type | HTML |
| State | active |