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Ethanone, 1-[3-[(4-methylphenyl)sulfonyl]-4-(phenylseleno)-3-cyclohexen-1-yl]-, (.+-.)-
SpectraBase Compound ID F4nP7RSnvz5
InChI InChI=1S/C21H22O3SSe/c1-15-8-11-18(12-9-15)25(23,24)20-14-17(16(2)22)10-13-21(20)26-19-6-4-3-5-7-19/h3-9,11-12,17H,10,13-14H2,1-2H3
InChIKey BGEVIPALLORPKT-UHFFFAOYSA-N
Mol Weight 433.44 g/mol
Molecular Formula C21H22O3SSe
Exact Mass 434.045488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IP6dQEh66sQ
Name Ethanone, 1-[3-[(4-methylphenyl)sulfonyl]-4-(phenylseleno)-3-cyclohexen-1-yl]-, (.+-.)-
CAS Registry Number 127381-50-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O3SSe
InChI InChI=1S/C21H22O3SSe/c1-15-8-11-18(12-9-15)25(23,24)20-14-17(16(2)22)10-13-21(20)26-19-6-4-3-5-7-19/h3-9,11-12,17H,10,13-14H2,1-2H3
InChIKey BGEVIPALLORPKT-UHFFFAOYSA-N
Molecular Weight 433.436 g/mol
SMILES C1(S(c2ccc(cc2)C)(=O)=O)=C([Se]c2ccccc2)CCC(C1)C(=O)C
SPLASH splash10-0006-9030000000-39d02f62f480705a8172
Source of Spectrum J-55-4601-28
Synonyms 1-[3-[(4-methylphenyl)sulfonyl]-4-(phenylselanyl)-3-cyclohexen-1-yl]ethanone
Wiley ID 1382869