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(2S)-2-(chloromethyl)-1,1-dimethyl-3-methylene-cyclohexane
SpectraBase Compound ID 7YjoTqZxQLA
InChI InChI=1S/C10H17Cl/c1-8-5-4-6-10(2,3)9(8)7-11/h9H,1,4-7H2,2-3H3/t9-/m1/s1
InChIKey JCEJMZQEQKOQAQ-SECBINFHSA-N
Mol Weight 172.7 g/mol
Molecular Formula C10H17Cl
Exact Mass 172.101878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2QNw92fN56q
Name (2S)-2-(chloromethyl)-1,1-dimethyl-3-methylene-cyclohexane
Alternate Name(s) (2S)-2-(chloromethyl)-1,1-dimethyl-3-methylidene-cyclohexane (2S)-2-(chloromethyl)-1,1-dimethyl-3-methylenecyclohexane
Comments Less than 3 mono-isotopic peaks
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Formula C10H17Cl
InChI InChI=1S/C10H17Cl/c1-8-5-4-6-10(2,3)9(8)7-11/h9H,1,4-7H2,2-3H3/t9-/m1/s1
InChIKey JCEJMZQEQKOQAQ-SECBINFHSA-N
Molecular Weight 172.699 g/mol
SMILES C1([C@](C(C)(C)CCC1)(CCl)[H])=C
SPLASH splash10-014i-9100000000-e64c4f198709c49af4ed
Source of Spectrum F-53-3534-3
Wiley ID 800945