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(E)-2-(2-methanoylphenyl)-8-(phenylsulfonyl)oct-7-enoic acid
SpectraBase Compound ID 2n7I8QBsBYg
InChI InChI=1S/C21H22O5S/c22-16-17-10-7-8-13-19(17)20(21(23)24)14-6-1-2-9-15-27(25,26)18-11-4-3-5-12-18/h3-5,7-13,15-16,20H,1-2,6,14H2,(H,23,24)/b15-9+
InChIKey NXVJXTNCASPQKC-OQLLNIDSSA-N
Mol Weight 386.46 g/mol
Molecular Formula C21H22O5S
Exact Mass 386.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B69ajVekVrE
Name (E)-2-(2-methanoylphenyl)-8-(phenylsulfonyl)oct-7-enoic acid
Alternate Name(s) (E)-8-(benzenesulfonyl)-2-(2-formylphenyl)-7-octenoic acid (E)-8-(benzenesulfonyl)-2-(2-formylphenyl)oct-7-enoic acid (E)-8-besyl-2-(2-formylphenyl)oct-7-enoic acid
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Formula C21H22O5S
InChI InChI=1S/C21H22O5S/c22-16-17-10-7-8-13-19(17)20(21(23)24)14-6-1-2-9-15-27(25,26)18-11-4-3-5-12-18/h3-5,7-13,15-16,20H,1-2,6,14H2,(H,23,24)/b15-9+
InChIKey NXVJXTNCASPQKC-OQLLNIDSSA-N
Molecular Weight 386.462 g/mol
SMILES OC(C(c1c(C=O)cccc1)CCCC\C=C\S(=O)(=O)c1ccccc1)=O
SPLASH splash10-004l-9073000000-4f7d51a5ccdd0b4c1145
Source of Spectrum KC-0-1936-13
Wiley ID 822807