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2-(3-Oxo-2-pentylcyclopentyl)thiopropionic acid, S-t-butyl ester
SpectraBase Compound ID 3tT1vLAv8Hm
InChI InChI=1S/C17H30O2S/c1-6-7-8-9-14-13(10-11-15(14)18)12(2)16(19)20-17(3,4)5/h12-14H,6-11H2,1-5H3
InChIKey KCCJOAGSTDQKTF-UHFFFAOYSA-N
Mol Weight 298.49 g/mol
Molecular Formula C17H30O2S
Exact Mass 298.196651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OM4AEDgkFU
Name 2-(3-OXO-2-PENTYLCYCLOPENTYL)-HIOPROPIONIC ACID ,S-tert-BUTYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H30O2S
InChI InChI=1S/C17H30O2S/c1-6-7-8-9-14-13(10-11-15(14)18)12(2)16(19)20-17(3,4)5/h12-14H,6-11H2,1-5H3
InChIKey KCCJOAGSTDQKTF-UHFFFAOYSA-N
Molecular Weight 298.1959
SMILES C1CC(=O)C(CCCCC)C1C(C(SC(C)(C)C)=O)C
SPLASH splash10-0bu0-9810000000-0e30fd5bcf59837d92e9
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany