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(E)-(S)-4-Isopropyl-4-phenyl-hept-5-en-2-one
SpectraBase Compound ID K8cILmvTJ5W
InChI InChI=1S/C16H22O/c1-5-11-16(13(2)3,12-14(4)17)15-9-7-6-8-10-15/h5-11,13H,12H2,1-4H3/b11-5+/t16-/m0/s1
InChIKey WRCTUIYRSZZNGA-WQRDJFRPSA-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 24NcPIw1UTT
Name (E)-(S)-4-Isopropyl-4-phenyl-hept-5-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O
InChI InChI=1S/C16H22O/c1-5-11-16(13(2)3,12-14(4)17)15-9-7-6-8-10-15/h5-11,13H,12H2,1-4H3/b11-5+/t16-/m0/s1
InChIKey WRCTUIYRSZZNGA-WQRDJFRPSA-N
Molecular Weight 230.351 g/mol
SMILES [C@](CC(=O)C)(\C=C\C)(c1ccccc1)C(C)C
SPLASH splash10-002s-0900000000-4d14f7e9271e86c147cb
Source of Spectrum CV-2005-1153-8
Synonyms (4S,5E)-4-isopropyl-4-phenyl-5-hepten-2-one (E,S)-3-Isopropyl-4-phenyl-5-hepten-2-one
Wiley ID 1611669