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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 H44snGFjH3c
Name ACETIC ACID, 2,2-DI(2-BUTEN-1-YL)-2-PHENYLSULFONYL-, METHYL ESTER (T,T-, T,C-, C,C-ISOMERIC MIXTURE)
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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
Instrument Name 311A
Molecular Weight 322.1233
SMILES c1(S(C(C\C=C\C)(C(=O)OC)C\C=C\C)(=O)=O)ccccc1
SPLASH splash10-057i-9700000000-771316191f4ca41fa515
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany