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Acetic acid, 2,2-di(2-buten-1-yl)-2-phenylsulfonyl-, methyl ester (E,E-, E,Z-, Z,Z-)
SpectraBase Compound ID DL1rB1hQ42O
InChI InChI=1S/C17H22O4S/c1-4-6-13-17(14-7-5-2,16(18)21-3)22(19,20)15-11-9-8-10-12-15/h4-12H,13-14H2,1-3H3/b6-4+,7-5+
InChIKey ZDCSOEPVQAKEQO-YDFGWWAZSA-N
Mol Weight 322.42 g/mol
Molecular Formula C17H22O4S
Exact Mass 322.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3LEYDQJJNw
Name Acetic acid, 2,2-di(2-buten-1-yl)-2-phenylsulfonyl-, methyl ester (E,E-, E,Z-, Z,Z-)
Alternate Name(s) (E)-2-(benzenesulfonyl)-2-[(E)-but-2-enyl]-4-hexenoic acid methyl ester (E)-2-besyl-2-[(E)-but-2-enyl]hex-4-enoic acid methyl ester Methyl (4E)-2-[(2E)-2-butenyl]-2-(phenylsulfonyl)-4-hexenoate Methyl (E)-2-(benzenesulfonyl)-2-[(E)-but-2-enyl]hex-4-enoate Methyl (E)-2-[(E)-but-2-enyl]-2-(phenylsulfonyl)hex-4-enoate
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Formula C17H22O4S
InChI InChI=1S/C17H22O4S/c1-4-6-13-17(14-7-5-2,16(18)21-3)22(19,20)15-11-9-8-10-12-15/h4-12H,13-14H2,1-3H3/b6-4+,7-5+
InChIKey ZDCSOEPVQAKEQO-YDFGWWAZSA-N
Molecular Weight 322.419 g/mol
SMILES c1cc(ccc1)S(=O)(=O)C(C\C=C\C)(C(OC)=O)C\C=C\C
SPLASH splash10-057i-9700000000-22ddefb8e482247d7a8f
Wiley ID 1495655