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1-Pentanone, 1-(2,4,6-cycloheptatrien-1-yl)-5-[(3-phenyl-2-propenyl)thio]-
SpectraBase Compound ID InMenjtJIJH
InChI InChI=1S/C21H24OS/c22-21(20-14-6-1-2-7-15-20)16-8-9-17-23-18-10-13-19-11-4-3-5-12-19/h1-7,10-15,20H,8-9,16-18H2/b13-10+
InChIKey BJLLYVKWBJYXBX-JLHYYAGUSA-N
Mol Weight 324.48 g/mol
Molecular Formula C21H24OS
Exact Mass 324.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HcHYSRI8f5
Name 1-Pentanone, 1-(2,4,6-cycloheptatrien-1-yl)-5-[(3-phenyl-2-propenyl)thio]-
CAS Registry Number 131327-92-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24OS
InChI InChI=1S/C21H24OS/c22-21(20-14-6-1-2-7-15-20)16-8-9-17-23-18-10-13-19-11-4-3-5-12-19/h1-7,10-15,20H,8-9,16-18H2/b13-10+
InChIKey BJLLYVKWBJYXBX-JLHYYAGUSA-N
Molecular Weight 324.482 g/mol
SMILES C(C1C=CC=CC=C1)(=O)CCCCSC\C=C\c1ccccc1
SPLASH splash10-014l-3910000000-4d40e9e7dbf111d2276c
Source of Spectrum F-46-6522-0
Synonyms 1-(2,4,6-cycloheptatrien-1-yl)-5-{[(2E)-3-phenyl-2-propenyl]sulfanyl}-1-pentanone 1-[5-(3-phenylprop-2-enyl0thio-pentanoxyl]cyclohepta-2,4,6-triene
Wiley ID 1323590