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4-(5-chloro-1-(4-methoxyphenyl)pentyl)benzonitrile
SpectraBase Compound ID 8cvZX74TxX3
InChI InChI=1S/C19H20ClNO/c1-22-18-11-9-17(10-12-18)19(4-2-3-13-20)16-7-5-15(14-21)6-8-16/h5-12,19H,2-4,13H2,1H3
InChIKey ILVSCFJFCLCFDM-UHFFFAOYSA-N
Mol Weight 313.83 g/mol
Molecular Formula C19H20ClNO
Exact Mass 313.123342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7SECDAcKrys
Name 4-(5-chloro-1-(4-methoxyphenyl)pentyl)benzonitrile
Appearance colorless oil
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Formula C19H20ClNO
InChI InChI=1S/C19H20ClNO/c1-22-18-11-9-17(10-12-18)19(4-2-3-13-20)16-7-5-15(14-21)6-8-16/h5-12,19H,2-4,13H2,1H3
InChIKey ILVSCFJFCLCFDM-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202101682
Molecular Weight 313.828 g/mol
Reported Formula C19H20ClNO
SMILES C=1(C(CCCCCl)C=2C=CC(=CC2)OC)C=CC(=CC1)C#N
SPLASH splash10-00di-0090000000-2ffc1e7565e20e0ac587
Source of Spectrum ACI-60-SM33-6f (DOI: 10.1002/anie.202101682)
Wiley ID 1891276