high-resolution mass spectrometry (HRMS)
URL: https://www.chemotion-repository.net/inchikey/AFFMHBKGIIMTPE-OHXAEJIZSA-N/CHMO0000498
Dataset description:
dataset for high-resolution mass spectrometry (HRMS)\n\n
Chemical Info
| InChI | InChI=1S/C27H23N3O4/c1-15-24(29-25(31)17-10-8-16(14-28)9-11-17)23-21(12-18(33-2)13-22(23)34-3)27(15)20-7-5-4-6-19(20)26(32)30-27/h4-13,15,24H,1-3H3,(H,29,31)(H,30,32)/t15-,24-,27+/m0/s1 |
|---|---|
| SMILES | COc1cc(OC)c2c(c1)[C@@]1(NC(=O)c3c1cccc3)[C@H]([C@@H]2NC(=O)c1ccc(cc1)C#N)C |
| InChI Key | AFFMHBKGIIMTPE-OHXAEJIZSA-N |
| Molecular Formula | C27H23N3O4 |
| Exact Mass | 453.489 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 29, 2025 |
| Metadata last updated | January 29, 2025 |
| Created | January 29, 2025 |
| Format | HTML |
| License | No License Provided |
| Id | 08dfc8f2-0671-4b98-912a-0604d76b063f |
| Package id | 10-14272-affmhbkgiimtpe-ohxaejizsa-n-chmo0000498 |
| Resource type | HTML |
| State | active |