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4-(1-(4-fluorophenyl)pentyl)benzonitrile
SpectraBase Compound ID 90UuAi3Kh2k
InChI InChI=1S/C18H18FN/c1-2-3-4-18(16-9-11-17(19)12-10-16)15-7-5-14(13-20)6-8-15/h5-12,18H,2-4H2,1H3
InChIKey MIVMJBCBQCPLDN-UHFFFAOYSA-N
Mol Weight 267.35 g/mol
Molecular Formula C18H18FN
Exact Mass 267.142328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rJzrmvuFn3
Name 4-(1-(4-fluorophenyl)pentyl)benzonitrile
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.142327747 u
Formula C18H18FN
InChI InChI=1S/C18H18FN/c1-2-3-4-18(16-9-11-17(19)12-10-16)15-7-5-14(13-20)6-8-15/h5-12,18H,2-4H2,1H3
InChIKey MIVMJBCBQCPLDN-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202101682
Molecular Weight 267.347 g/mol
Reported Formula C18H18FN
SMILES C=1(C(CCCC)C=2C=CC(=CC2)F)C=CC(=CC1)C#N
SPLASH splash10-03di-0290000000-055caa39e3ef1de7a2e2
Source of Spectrum ACI-60-SM32-6c (DOI: 10.1002/anie.202101682)
Wiley ID 1891273