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(E)-3-(2-methylbenzylidene)octan-2-one
SpectraBase Compound ID CMKfrw18wR6
InChI InChI=1S/C16H22O/c1-4-5-6-11-16(14(3)17)12-15-10-8-7-9-13(15)2/h7-10,12H,4-6,11H2,1-3H3/b16-12+
InChIKey RPDLZSKFNOKIOX-FOWTUZBSSA-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 J3sIiEcH1Wn
Name (E)-3-(2-methylbenzylidene)octan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O
InChI InChI=1S/C16H22O/c1-4-5-6-11-16(14(3)17)12-15-10-8-7-9-13(15)2/h7-10,12H,4-6,11H2,1-3H3/b16-12+
InChIKey RPDLZSKFNOKIOX-FOWTUZBSSA-N
Ionization Type EI
Molecular Weight 230.351 g/mol
SMILES CC(\C(=C\c1c(cccc1)C)CCCCC)=O
SPLASH splash10-014l-4960000000-4d8932d1613a96a7c86d
Source of Spectrum US20100111888A1
Wiley ID 1842187