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4-Fluoro-2-[[(Z)-(R)-2-(1H-imidazol-4-yl)-1-methyl-ethylimino]-(1H-pyrrol-2-yl)-methyl]-phenol
SpectraBase Compound ID 7nVVwNfZjFr
InChI InChI=1S/C17H17FN4O/c1-11(7-13-9-19-10-21-13)22-17(15-3-2-6-20-15)14-8-12(18)4-5-16(14)23/h2-6,8-11,20,23H,7H2,1H3,(H,19,21)/b22-17-/t11-/m1/s1
InChIKey SLZKNIPIQRQRNO-PWDCFLEBSA-N
Mol Weight 312.35 g/mol
Molecular Formula C17H17FN4O
Exact Mass 312.138639 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDV9zduyZYw
Name 4-Fluoro-2-[[(Z)-(R)-2-(1H-imidazol-4-yl)-1-methyl-ethylimino]-(1H-pyrrol-2-yl)-methyl]-phenol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17FN4O
InChI InChI=1S/C17H17FN4O/c1-11(7-13-9-19-10-21-13)22-17(15-3-2-6-20-15)14-8-12(18)4-5-16(14)23/h2-6,8-11,20,23H,7H2,1H3,(H,19,21)/b22-17-/t11-/m1/s1
InChIKey SLZKNIPIQRQRNO-PWDCFLEBSA-N
Molecular Weight 312.348 g/mol
SMILES Oc1c(\C(c2[nH]ccc2)=N/[C@@](Cc2nc[nH]c2)(C)[H])cc(cc1)F
SPLASH splash10-001i-0090000000-77c7355ecf1c56d43b13
Source of Spectrum D8-329-214-8
Synonyms 4-fluoro-2-[(Z)-{[(Z,1R)-2-(1H-imidazol-4-yl)-1-methylethyl]imino}(1H-pyrrol-2-yl)methyl]phenol 4-Fluoro-2-{[N-1'-(1H-imidazol-4''-yl)-2'-propylimino]-(1H-pyrrol-2'''-yl)methyl}-phenol
Wiley ID 1516190