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(1S*,4S*)-[4-benzenesulfonyl-4-{(S*)-1-hydroxypentyl}-2-cyclopenten-1-yl]acetic acid
SpectraBase Compound ID 9uPeWVwZAJU
InChI InChI=1S/C18H24O5S/c1-2-3-9-16(19)18(11-10-14(13-18)12-17(20)21)24(22,23)15-7-5-4-6-8-15/h4-8,10-11,14,16,19H,2-3,9,12-13H2,1H3,(H,20,21)/t14-,16-,18+/m0/s1
InChIKey HSJNZSFTYKPJQK-QILLFSRXSA-N
Mol Weight 352.45 g/mol
Molecular Formula C18H24O5S
Exact Mass 352.134445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqffM7d9gpv
Name (1S*,4S*)-[4-benzenesulfonyl-4-{(S*)-1-hydroxypentyl}-2-cyclopenten-1-yl]acetic acid
Alternate Name(s) (1S*,4S*)-[4-Benzenesu;fonyl-4{(4S*)-1-hydroxypentyl}-2-cyclopenten-1-yl]acetic acid [(1S,4S)-4-[(1S)-1-hydroxypentyl]-4-(phenylsulfonyl)-2-cyclopenten-1-yl]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O5S
InChI InChI=1S/C18H24O5S/c1-2-3-9-16(19)18(11-10-14(13-18)12-17(20)21)24(22,23)15-7-5-4-6-8-15/h4-8,10-11,14,16,19H,2-3,9,12-13H2,1H3,(H,20,21)/t14-,16-,18+/m0/s1
InChIKey HSJNZSFTYKPJQK-QILLFSRXSA-N
Molecular Weight 352.445 g/mol
SMILES OC(C[C@@]1(C=C[C@@]([C@@](O)(CCCC)[H])(S(=O)(=O)c2ccccc2)C1)[H])=O
SPLASH splash10-0kbo-9300000000-28c5f1172d0396c17721
Source of Spectrum F-52-14837-15
Wiley ID 799789