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cis-5-Chloro-2,3-dipentyl-4-phenylcyclopent-2-enone
SpectraBase Compound ID 4bgrBm6gCfW
InChI InChI=1S/C21H29ClO/c1-3-5-8-14-17-18(15-9-6-4-2)21(23)20(22)19(17)16-12-10-7-11-13-16/h7,10-13,19-20H,3-6,8-9,14-15H2,1-2H3/t19-,20-/m0/s1
InChIKey WBCCBERYYJYZPV-PMACEKPBSA-N
Mol Weight 332.92 g/mol
Molecular Formula C21H29ClO
Exact Mass 332.190693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DEFlFGbUrkH
Name cis-5-Chloro-2,3-dipentyl-4-phenylcyclopent-2-enone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29ClO
InChI InChI=1S/C21H29ClO/c1-3-5-8-14-17-18(15-9-6-4-2)21(23)20(22)19(17)16-12-10-7-11-13-16/h7,10-13,19-20H,3-6,8-9,14-15H2,1-2H3/t19-,20-/m0/s1
InChIKey WBCCBERYYJYZPV-PMACEKPBSA-N
Molecular Weight 332.915 g/mol
SMILES C1(C(=C([C@@]([C@@]1(Cl)[H])(c1ccccc1)[H])CCCCC)CCCCC)=O
SPLASH splash10-000e-1491000000-81312c41092558b671a9
Source of Spectrum F-69-7063-8c
Synonyms (4S,5S)-5-chloro-2,3-dipentyl-4-phenylcyclopent-2-enone
Wiley ID 1738500