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2-Amylcycloheptanone
SpectraBase Compound ID E12OwzLi2dY
InChI InChI=1S/C12H22O/c1-2-3-5-8-11-9-6-4-7-10-12(11)13/h11H,2-10H2,1H3
InChIKey YKHUTDLCMXFERV-UHFFFAOYSA-N
Mol Weight 182.31 g/mol
Molecular Formula C12H22O
Exact Mass 182.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjqjbRlMp6t
Name 2-Amylcycloheptanone
Alternate Name(s) 2-pentyl-1-cycloheptanone 2-pentylcycloheptan-1-one 2-Pentylcycloheptanone
Comments Less than 3 mono-isotopic peaks
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Formula C12H22O
InChI InChI=1S/C12H22O/c1-2-3-5-8-11-9-6-4-7-10-12(11)13/h11H,2-10H2,1H3
InChIKey YKHUTDLCMXFERV-UHFFFAOYSA-N
Molecular Weight 182.307 g/mol
SMILES C1(=O)C(CCCCC)CCCCC1
SPLASH splash10-03di-0900000000-8e6665341ef4c65aab89
Source of Spectrum KC-0-89-10
Wiley ID 775863