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Methyl 2-[.alpha.-(6-Phenylsulfonylhexyl)]-5-methoxy-2-formylbenzeneacetate
SpectraBase Compound ID JNeCPBSQZWb
InChI InChI=1S/C23H28O6S/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/h5-7,10-11,13-14,16-17,21H,3-4,8-9,12,15H2,1-2H3/t21-/m0/s1
InChIKey OECNFTCOXUZRDU-NRFANRHFSA-N
Mol Weight 432.53 g/mol
Molecular Formula C23H28O6S
Exact Mass 432.16066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJvyRpy892P
Name Methyl 2-[.alpha.-(6-Phenylsulfonylhexyl)]-5-methoxy-2-formylbenzeneacetate
Alternate Name(s) Methyl (2S)-2-(2-formyl-5-methoxyphenyl)-8-(phenylsulfonyl)octanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O6S
InChI InChI=1S/C23H28O6S/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/h5-7,10-11,13-14,16-17,21H,3-4,8-9,12,15H2,1-2H3/t21-/m0/s1
InChIKey OECNFTCOXUZRDU-NRFANRHFSA-N
Molecular Weight 432.531 g/mol
SMILES c1(S(=O)(=O)CCCCCC[C@@](c2c(ccc(c2)OC)C=O)(C(=O)OC)[H])ccccc1
SPLASH splash10-004i-2940000000-0633fdc5df6efbe6f30b
Source of Spectrum KC-0-1933-13
Wiley ID 822833