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1-(Chloromethyl)-6-n-pentylphenanthrene
SpectraBase Compound ID IZTT7CO9Qda
InChI InChI=1S/C20H21Cl/c1-2-3-4-6-15-9-10-16-11-12-18-17(14-21)7-5-8-19(18)20(16)13-15/h5,7-13H,2-4,6,14H2,1H3
InChIKey NKUOQCCINLHEQZ-UHFFFAOYSA-N
Mol Weight 296.84 g/mol
Molecular Formula C20H21Cl
Exact Mass 296.133178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1aZNwNB09g
Name 1-(Chloromethyl)-6-n-pentylphenanthrene
Comments Less than 3 mono-isotopic peaks
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Formula C20H21Cl
InChI InChI=1S/C20H21Cl/c1-2-3-4-6-15-9-10-16-11-12-18-17(14-21)7-5-8-19(18)20(16)13-15/h5,7-13H,2-4,6,14H2,1H3
InChIKey NKUOQCCINLHEQZ-UHFFFAOYSA-N
Molecular Weight 296.841 g/mol
SMILES c1(cccc2c3cc(ccc3ccc12)CCCCC)CCl
SPLASH splash10-0002-0090000000-0b21ddc2e4ddd76724e0
Source of Spectrum C-119-2124-0
Synonyms 1-(chloromethyl)-6-pentylphenanthrene
Wiley ID 760222