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5-Oxo-2-pentyl-4-[(phenylsulfonyl)methyl]-tetrahydrofuran-3-carboxylic acid
SpectraBase Compound ID 9gwCgmb82eP
InChI InChI=1S/C17H22O6S/c1-2-3-5-10-14-15(16(18)19)13(17(20)23-14)11-24(21,22)12-8-6-4-7-9-12/h4,6-9,13-15H,2-3,5,10-11H2,1H3,(H,18,19)
InChIKey INFVHOBKKFTONZ-UHFFFAOYSA-N
Mol Weight 354.42 g/mol
Molecular Formula C17H22O6S
Exact Mass 354.11371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AV4Bafqj0Rt
Name 5-Oxo-2-pentyl-4-[(phenylsulfonyl)methyl]-tetrahydrofuran-3-carboxylic acid
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Formula C17H22O6S
InChI InChI=1S/C17H22O6S/c1-2-3-5-10-14-15(16(18)19)13(17(20)23-14)11-24(21,22)12-8-6-4-7-9-12/h4,6-9,13-15H,2-3,5,10-11H2,1H3,(H,18,19)
InChIKey INFVHOBKKFTONZ-UHFFFAOYSA-N
Molecular Weight 354.417 g/mol
SMILES OC(C1C(OC(C1CS(=O)(=O)c1ccccc1)=O)CCCCC)=O
SPLASH splash10-004r-9410000000-06b096583b0961509e86
Source of Spectrum H-85-3810-20
Synonyms Tetrahydro-5-oxo-2-pentyl-4-[(phenylsulfonyl)methyl]-furan-3-carboxylic acid 5-Oxo-2-pentyl-4-[(phenylsulfonyl)methyl]tetrahydro-3-furancarboxylic acid
Wiley ID 1524912