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Methyl [(1S*,4S*)-4-benzenesulfonyl-4-(2-methylpropanoyl)-2-cyclopenten-1-yl]acetate
SpectraBase Compound ID 7g8f2XnPssF
InChI InChI=1S/C18H22O5S/c1-13(2)17(20)18(10-9-14(12-18)11-16(19)23-3)24(21,22)15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3/t14-,18+/m0/s1
InChIKey UIYZWZQTPAGLHJ-KBXCAEBGSA-N
Mol Weight 350.43 g/mol
Molecular Formula C18H22O5S
Exact Mass 350.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FB3Ke97GC
Name Methyl [(1S*,4S*)-4-benzenesulfonyl-4-(2-methylpropanoyl)-2-cyclopenten-1-yl]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O5S
InChI InChI=1S/C18H22O5S/c1-13(2)17(20)18(10-9-14(12-18)11-16(19)23-3)24(21,22)15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3/t14-,18+/m0/s1
InChIKey UIYZWZQTPAGLHJ-KBXCAEBGSA-N
Molecular Weight 350.429 g/mol
SMILES [C@]1(S(=O)(=O)c2ccccc2)(C=C[C@](C1)(CC(=O)OC)[H])C(=O)C(C)C
SPLASH splash10-0596-9030000000-d4bf9183b971983dc307
Source of Spectrum F-52-14833-7
Synonyms Methyl[(1S,4S)-4-isobutyryl-4-(phenylsulfonyl)-2-cyclopenten-1-yl]acetate
Wiley ID 799801