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(3-Benzenesulfonyl-4-isobutyrylcyclopent-2-enyl)acetic acid, methyl ester
SpectraBase Compound ID 2VX13YWX2jQ
InChI InChI=1S/C18H22O5S/c1-12(2)18(20)15-9-13(11-17(19)23-3)10-16(15)24(21,22)14-7-5-4-6-8-14/h4-8,10,12-13,15H,9,11H2,1-3H3
InChIKey BTSSYLNAYUXWBQ-UHFFFAOYSA-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 IxCzgXNIyos
Name (3-BENZENESULFONYL-4-ISOBUTYRYLCYCLOPENT-2-ENYL)ACETIC ACID, METHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H22O5S
InChI InChI=1S/C18H22O5S/c1-12(2)18(20)15-9-13(11-17(19)23-3)10-16(15)24(21,22)14-7-5-4-6-8-14/h4-8,10,12-13,15H,9,11H2,1-3H3
InChIKey BTSSYLNAYUXWBQ-UHFFFAOYSA-N
Molecular Weight 350.1182
SMILES C1(C(=O)C(C)C)CC(CC(OC)=O)C=C1S(c1ccccc1)(=O)=O
SPLASH splash10-05bf-9220000000-431eecdb9386a20cc30a
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany