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2-Cyclohexen-1-one, 2,4,4-trimethyl-6-[[(4-methylphenyl)sulfonyl]oxy]-3-(3-oxo-1-butenyl) -, (E)-
SpectraBase Compound ID J0OpU2tY91D
InChI InChI=1S/C20H24O5S/c1-13-6-9-16(10-7-13)26(23,24)25-18-12-20(4,5)17(11-8-14(2)21)15(3)19(18)22/h6-11,18H,12H2,1-5H3/b11-8+
InChIKey JQPPWRQTQVMRMA-DHZHZOJOSA-N
Mol Weight 376.47 g/mol
Molecular Formula C20H24O5S
Exact Mass 376.134445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzimLCWnlKq
Name 2-Cyclohexen-1-one, 2,4,4-trimethyl-6-[[(4-methylphenyl)sulfonyl]oxy]-3-(3-oxo-1-butenyl) -, (E)-
CAS Registry Number 70412-55-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O5S
InChI InChI=1S/C20H24O5S/c1-13-6-9-16(10-7-13)26(23,24)25-18-12-20(4,5)17(11-8-14(2)21)15(3)19(18)22/h6-11,18H,12H2,1-5H3/b11-8+
InChIKey JQPPWRQTQVMRMA-DHZHZOJOSA-N
Molecular Weight 376.467 g/mol
SMILES C1(OS(c2ccc(cc2)C)(=O)=O)C(C(C)=C(C(C1)(C)C)\C=C\C(=O)C)=O
SPLASH splash10-000l-4900000000-dc67e21c5e117d160c9b
Source of Spectrum H-62-569-0
Synonyms (E)-4-(2',6',6'-trimethyl-3'-oxo-4'-tosyloxy-1'-cyclohexen-1'-yl)-3-buten-2-one 3,5,5-trimethyl-2-oxo-4-[(1E)-3-oxo-1-butenyl]-3-cyclohexen-1-yl 4-methylbenzenesulfonate
Wiley ID 1357658