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trans-2-(2'-Hexylcyclopropyl)propanone
SpectraBase Compound ID Jf3POezGduZ
InChI InChI=1S/C12H22O/c1-3-4-5-6-7-11-9-12(11)8-10(2)13/h11-12H,3-9H2,1-2H3/t11-,12-/m1/s1
InChIKey BEUZRMKYKLZLJU-VXGBXAGGSA-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 1t4ofIHgJpR
Name trans-2-(2'-Hexylcyclopropyl)propanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O
InChI InChI=1S/C12H22O/c1-3-4-5-6-7-11-9-12(11)8-10(2)13/h11-12H,3-9H2,1-2H3/t11-,12-/m1/s1
InChIKey BEUZRMKYKLZLJU-VXGBXAGGSA-N
Literature Reference DOI 10.1002/ffj.2730060307
Molecular Weight 182.307 g/mol
SMILES C(C[C@]1([C@@](C1)(CCCCCC)[H])[H])(=O)C
SPLASH splash10-0006-9000000000-db4b56e913586282baad
Source of Spectrum FF-6-203-IX
Synonyms 1-((1S,2R)-2-hexylcyclopropyl)propan-2-one
Wiley ID 1801239