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FUB-AKB48
SpectraBase Compound ID 4Rwi2QXLZod
InChI InChI=1S/C25H26FN3O/c26-20-7-5-16(6-8-20)15-29-22-4-2-1-3-21(22)23(28-29)24(30)27-25-12-17-9-18(13-25)11-19(10-17)14-25/h1-8,17-19H,9-15H2,(H,27,30)/t17-,18+,19-,25-
InChIKey MWBHSNBPUSKVDD-DXSJEHQWSA-N
Mol Weight 403.5 g/mol
Molecular Formula C25H26FN3O
Exact Mass 403.205991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AyzlEGwF6Hc
Name AKB48 4-fluorobenzyl analog
Catalog Number 15937
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26FN3O
InChI InChI=1S/C25H26FN3O/c26-20-7-5-16(6-8-20)15-29-22-4-2-1-3-21(22)23(28-29)24(30)27-25-12-17-9-18(13-25)11-19(10-17)14-25/h1-8,17-19H,9-15H2,(H,27,30)/t17-,18+,19-,25-
InChIKey MWBHSNBPUSKVDD-DXSJEHQWSA-N
Molecular Weight 403.501 g/mol
SMILES N(C(c1n[n](c2c1cccc2)Cc1ccc(cc1)F)=O)C12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H]
SPLASH splash10-0pb9-3951000000-27ba46ebb8c5d3198915
Source of Spectrum CAY-2023-1483-0
Wiley ID 1889420