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(3S,4S)-(E)-3,4-Diphenylcyclonona-5-enone
SpectraBase Compound ID C1uQ4Ljubs6
InChI InChI=1S/C21H22O/c22-19-14-8-3-9-15-20(17-10-4-1-5-11-17)21(16-19)18-12-6-2-7-13-18/h1-2,4-7,9-13,15,20-21H,3,8,14,16H2/b15-9+/t20-,21-/m1/s1
InChIKey IBLKLWHLKCWVMI-JKSSGFFLSA-N
Mol Weight 290.41 g/mol
Molecular Formula C21H22O
Exact Mass 290.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJRyCirNxt3
Name (3S,4S)-(E)-3,4-Diphenylcyclonona-5-enone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O
InChI InChI=1S/C21H22O/c22-19-14-8-3-9-15-20(17-10-4-1-5-11-17)21(16-19)18-12-6-2-7-13-18/h1-2,4-7,9-13,15,20-21H,3,8,14,16H2/b15-9+/t20-,21-/m1/s1
InChIKey IBLKLWHLKCWVMI-JKSSGFFLSA-N
Molecular Weight 290.406 g/mol
SMILES [C@@]1([C@](\C=C\CCCC(C1)=O)(c1ccccc1)[H])(c1ccccc1)[H]
SPLASH splash10-0006-4960000000-4a04b6762bff06d272cc
Source of Spectrum SO-0-1338-14
Synonyms (3S,4S)-3,4-diphenyl-5-cyclononen-1-one trans-(E)-3,4-Diphenylcyclonona-5-enone
Wiley ID 878011