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3-Chloro-1-ethynylbenzene
SpectraBase Compound ID HOSSbvMVgRy
InChI InChI=1S/C8H5Cl/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
InChIKey GRBJPHPMYOUMJV-UHFFFAOYSA-N
Mol Weight 136.58 g/mol
Molecular Formula C8H5Cl
Exact Mass 136.007978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1PtPcfO2io
Name (3-Chlorophenyl)acetylene
CAS Registry Number 766-83-6
Comments Less than 3 mono-isotopic peaks
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Formula C8H5Cl
InChI InChI=1S/C8H5Cl/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
InChIKey GRBJPHPMYOUMJV-UHFFFAOYSA-N
Molecular Weight 136.581 g/mol
SMILES C(#C)c1cc(Cl)ccc1
SPLASH splash10-000i-0900000000-a0c053e3a49ce8590643
Source of Spectrum J-46-118-0
Synonyms 1-chloranyl-3-ethynyl-benzene 1-chloro-3-ethynyl-benzene Benzene, 1-chloro-3-ethynyl- M-chlorophenylacetylene
Wiley ID 1135916