| SpectraBase Compound ID | 7AAL0o6Bdv9 |
|---|---|
| InChI | InChI=1S/C17H23FN4O2/c1-11(2)14(16(19)23)20-17(24)15-12-7-3-4-8-13(12)22(21-15)10-6-5-9-18/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H2,19,23)(H,20,24)/t14-/m0/s1 |
| InChIKey | VOMPUVOJBVRDRY-AWEZNQCLSA-N |
| Mol Weight | 334.4 g/mol |
| Molecular Formula | C17H23FN4O2 |
| Exact Mass | 334.180504 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IPGweBLNmF |
|---|---|
| Name | 4-fluoro AB-BUTINACA |
| CAS Registry Number | 1864889-46-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.180504158 u |
| Formula | C17H23FN4O2 |
| InChI | InChI=1S/C17H23FN4O2/c1-11(2)14(16(19)23)20-17(24)15-12-7-3-4-8-13(12)22(21-15)10-6-5-9-18/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H2,19,23)(H,20,24)/t14-/m0/s1 |
| InChIKey | VOMPUVOJBVRDRY-AWEZNQCLSA-N |
| Molecular Weight | 334.395 g/mol |
| Quality | 985 |
| SMILES | N(C(C1=NN(C2=CC=CC=C12)CCCCF)=O)[C@](C(N)=O)(C(C)C)[H] |
| SPLASH | splash10-014i-3490000000-e3344f56bf9d4c2f586d |
| Source of Spectrum | CAY-2024-2311-0 |
| Synonyms | (2S)-2-{[1-(4-fluorobutyl)-1H-indazol-3-yl]formamido}-3-methylbutanamide |
| Wiley ID | 1890562 |