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4-CHLORPHENYLTHIOCYANAT
SpectraBase Compound ID qOTCWwflg1
InChI InChI=1S/C7H4ClNS/c8-6-1-3-7(4-2-6)10-5-9/h1-4H
InChIKey AUQXBIOKBXZSPG-UHFFFAOYSA-N
Mol Weight 169.63 g/mol
Molecular Formula C7H4ClNS
Exact Mass 168.975298 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uvOgI8moJ5
Name 4-chlorophenyl thiocyanate
Appearance Yellow liquid
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Exact Mass 168.975298007 u
Formula C7H4ClNS
GC Column HP-5 (30 m x 320 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C7H4ClNS/c8-6-1-3-7(4-2-6)10-5-9/h1-4H
InChIKey AUQXBIOKBXZSPG-UHFFFAOYSA-N
Instrument Name Varian Saturn 2100 T
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503915
Quality 266
Reported Formula C7H4(35)ClNS
SMILES C1(Cl)=CC=C(C=C1)SC#N
SPLASH splash10-01b9-0900000000-f181de7270eec61bde30
Source of Spectrum QE-21-SM14-1n (DOI: 10.1002/chem.201503915)
Wiley ID 1907342