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5-allyl-2-chlorobenzonitrile
SpectraBase Compound ID 7xZi2uh4mrp
InChI InChI=1S/C10H8ClN/c1-2-3-8-4-5-10(11)9(6-8)7-12/h2,4-6H,1,3H2
InChIKey SNRHZQNSTGNTMF-UHFFFAOYSA-N
Mol Weight 177.63 g/mol
Molecular Formula C10H8ClN
Exact Mass 177.034527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AwdZi3nLVhH
Name 5-allyl-2-chlorobenzonitrile
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8ClN
InChI InChI=1S/C10H8ClN/c1-2-3-8-4-5-10(11)9(6-8)7-12/h2,4-6H,1,3H2
InChIKey SNRHZQNSTGNTMF-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A & Agilent Technologies 5975C Inert XL EI/CI MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.201906898
Molecular Weight 177.634 g/mol
Reported Formula C10H8ClN
SMILES C(Cc1ccc(c(c1)C#N)Cl)=C
SPLASH splash10-0006-0900000000-1d4ef21e0ed641f87e5c
Source of Spectrum ACI-58-SM47-11e
Wiley ID 1875514