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trans 2-(2-(2-chlorophenyl)cyclopropyl)-2,4-dimethylpentan-3-one
SpectraBase Compound ID 4FqVri2sIJH
InChI InChI=1S/C16H21ClO/c1-10(2)15(18)16(3,4)13-9-12(13)11-7-5-6-8-14(11)17/h5-8,10,12-13H,9H2,1-4H3/t12-,13+/m0/s1
InChIKey XCUGIVDSBIXTMP-QWHCGFSZSA-N
Mol Weight 264.8 g/mol
Molecular Formula C16H21ClO
Exact Mass 264.128093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I41IrBU9Qid
Name trans 2-(2-(2-chlorophenyl)cyclopropyl)-2,4-dimethylpentan-3-one
Alternate Name(s) 2-((1R,2R)-2-(2-chlorophenyl)cyclopropyl)-2,4-dimethylpentan-3-one
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Formula C16H21ClO
InChI InChI=1S/C16H21ClO/c1-10(2)15(18)16(3,4)13-9-12(13)11-7-5-6-8-14(11)17/h5-8,10,12-13H,9H2,1-4H3/t12-,13+/m0/s1
InChIKey XCUGIVDSBIXTMP-QWHCGFSZSA-N
Literature Reference DOI 10.1002/ajoc.201700541
Molecular Weight 264.796 g/mol
SMILES C(C(=O)C(C)(C)[C@]1([C@@](C1)(c1c(cccc1)Cl)[H])[H])(C)C
SPLASH splash10-0uk9-5900000000-e4d606cd7ee63a2f8b3c
Source of Spectrum AJO-6-SM8-3v
Wiley ID 1813061