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(+)-(4R,2E)- 4-Methyl-1-phenyl-non-2-en-1-one
SpectraBase Compound ID DzDhJYxigHg
InChI InChI=1S/C16H22O/c1-3-4-6-9-14(2)12-13-16(17)15-10-7-5-8-11-15/h5,7-8,10-14H,3-4,6,9H2,1-2H3/b13-12+/t14-/m1/s1
InChIKey LXZGDFKGLQJQIQ-XTZCOPOCSA-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 CmAQaBQgq9W
Name (+)-(4R,2E)- 4-Methyl-1-phenyl-non-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O
InChI InChI=1S/C16H22O/c1-3-4-6-9-14(2)12-13-16(17)15-10-7-5-8-11-15/h5,7-8,10-14H,3-4,6,9H2,1-2H3/b13-12+/t14-/m1/s1
InChIKey LXZGDFKGLQJQIQ-XTZCOPOCSA-N
Literature Reference DOI 10.1021/ol063097o
Molecular Weight 230.351 g/mol
SMILES c1(C(\C=C\[C@@](CCCCC)(C)[H])=O)ccccc1
SPLASH splash10-0ab9-2910000000-26dd6f68baf839403e76
Source of Spectrum A1-9-1041/SMS17-(+)_(R)_6a
Synonyms (R,E)-4-methyl-1-phenylnon-2-en-1-one
Wiley ID 1757925