| SpectraBase Compound ID | WqrALvFj36 |
|---|---|
| InChI | InChI=1S/C22H29FN4O2/c1-14(2)20(21(24)28)25-22(29)18-12-19(16-8-10-17(23)11-9-16)27(26-18)13-15-6-4-3-5-7-15/h8-12,14-15,20H,3-7,13H2,1-2H3,(H2,24,28)(H,25,29)/t20-/m0/s1 |
| InChIKey | XMZXGVYPIIOHAQ-FQEVSTJZSA-N |
| Mol Weight | 400.5 g/mol |
| Molecular Formula | C22H29FN4O2 |
| Exact Mass | 400.227454 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5SGKvTLZyDD |
|---|---|
| Name | 5,3-AB-CHMFUPPYCA |
| Catalog Number | 18296 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H29FN4O2 |
| InChI | InChI=1S/C22H29FN4O2/c1-14(2)20(21(24)28)25-22(29)18-12-19(16-8-10-17(23)11-9-16)27(26-18)13-15-6-4-3-5-7-15/h8-12,14-15,20H,3-7,13H2,1-2H3,(H2,24,28)(H,25,29)/t20-/m0/s1 |
| InChIKey | XMZXGVYPIIOHAQ-FQEVSTJZSA-N |
| Molecular Weight | 400.498 g/mol |
| SMILES | N(C(=O)c1n[n](c(c1)-c1ccc(cc1)F)CC1CCCCC1)[C@](C(=O)N)(C(C)C)[H] |
| SPLASH | splash10-052r-5896000000-82013c03164b50fb62a7 |
| Source of Spectrum | CAY-2023-1280-0 |
| Wiley ID | 1889217 |