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threo-Methyl 6-hydroxy-3-methyl-5-methylene-4-tosylhexanoate
SpectraBase Compound ID HAPmZs2jCML
InChI InChI=1S/C16H22O5S/c1-11-5-7-14(8-6-11)22(19,20)16(13(3)10-17)12(2)9-15(18)21-4/h5-8,12,16-17H,3,9-10H2,1-2,4H3
InChIKey GSRAZCAZHWKEEF-UHFFFAOYSA-N
Mol Weight 326.41 g/mol
Molecular Formula C16H22O5S
Exact Mass 326.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jyYSQWVrAM
Name threo-Methyl 6-hydroxy-3-methyl-5-methylene-4-tosylhexanoate
Alternate Name(s) Methyl 5-(hydroxymethyl)-3-methyl-4-[(4-methylphenyl)sulfonyl]-5-hexenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O5S
InChI InChI=1S/C16H22O5S/c1-11-5-7-14(8-6-11)22(19,20)16(13(3)10-17)12(2)9-15(18)21-4/h5-8,12,16-17H,3,9-10H2,1-2,4H3
InChIKey GSRAZCAZHWKEEF-UHFFFAOYSA-N
Molecular Weight 326.407 g/mol
SMILES OCC(C(S(c1ccc(cc1)C)(=O)=O)C(CC(=O)OC)C)=C
SPLASH splash10-00dj-3924000000-7ad8c2b12c480a771960
Source of Spectrum F-50-6613-16
Wiley ID 1324581