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trans 3-(2-phenylcyclopropyl)heptan-4-one
SpectraBase Compound ID KKLINFasLmD
InChI InChI=1S/C16H22O/c1-3-8-16(17)13(4-2)15-11-14(15)12-9-6-5-7-10-12/h5-7,9-10,13-15H,3-4,8,11H2,1-2H3/t13?,14-,15-/m0/s1
InChIKey UXYXJGPKHUUYDW-FGRDXJNISA-N
Mol Weight 230.35 g/mol
Molecular Formula C16H22O
Exact Mass 230.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9eTq8YYJtoG
Name trans 3-(2-phenylcyclopropyl)heptan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O
InChI InChI=1S/C16H22O/c1-3-8-16(17)13(4-2)15-11-14(15)12-9-6-5-7-10-12/h5-7,9-10,13-15H,3-4,8,11H2,1-2H3/t13?,14-,15-/m0/s1
InChIKey UXYXJGPKHUUYDW-FGRDXJNISA-N
Literature Reference DOI 10.1002/ajoc.201700541
Molecular Weight 230.351 g/mol
SMILES C(CC(C([C@]1([C@@](C1)(c1ccccc1)[H])[H])CC)=O)C
SPLASH splash10-01bc-7900000000-93d670c875eab63689ee
Source of Spectrum AJO-6-SM6-3m
Synonyms 3-((1R,2R)-2-phenylcyclopropyl)heptan-4-one
Wiley ID 1813052