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Methyl 2-[.alpha.-(6-Phenylsulfonylhex-5-en-1-yl)]-5-methoxy-2-formylbenzeneacetate
SpectraBase Compound ID Gt8GZkI2YqG
InChI InChI=1S/C23H26O6S/c1-28-19-14-13-18(17-24)22(16-19)21(23(25)29-2)12-8-3-4-9-15-30(26,27)20-10-6-5-7-11-20/h5-7,9-11,13-17,21H,3-4,8,12H2,1-2H3/b15-9+/t21-/m0/s1
InChIKey KSPXPBAGCHSZBI-NMQRCDEWSA-N
Mol Weight 430.52 g/mol
Molecular Formula C23H26O6S
Exact Mass 430.14501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42WacdCOM0I
Name Methyl 2-[.alpha.-(6-Phenylsulfonylhex-5-en-1-yl)]-5-methoxy-2-formylbenzeneacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O6S
InChI InChI=1S/C23H26O6S/c1-28-19-14-13-18(17-24)22(16-19)21(23(25)29-2)12-8-3-4-9-15-30(26,27)20-10-6-5-7-11-20/h5-7,9-11,13-17,21H,3-4,8,12H2,1-2H3/b15-9+/t21-/m0/s1
InChIKey KSPXPBAGCHSZBI-NMQRCDEWSA-N
Molecular Weight 430.515 g/mol
SMILES C(\C=C\S(=O)(=O)c1ccccc1)CCC[C@@](c1c(ccc(c1)OC)C=O)(C(=O)OC)[H]
SPLASH splash10-01t9-3940000000-295f94fa1d8d74513084
Source of Spectrum KC-0-1933-13
Synonyms Methyl (2S,7E)-2-(2-formyl-5-methoxyphenyl)-8-(phenylsulfonyl)-7-octenoate
Wiley ID 822832