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2-(1,1-dimethylallyl)-3-keto-tetrahydrothiopyran-2-carboxylic acid ethyl ester
SpectraBase Compound ID BtLBcSZvNnw
InChI InChI=1S/C13H20O3S/c1-5-12(3,4)13(11(15)16-6-2)10(14)8-7-9-17-13/h5H,1,6-9H2,2-4H3
InChIKey JBMMLLGTUQHKPM-UHFFFAOYSA-N
Mol Weight 256.36 g/mol
Molecular Formula C13H20O3S
Exact Mass 256.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9C5daRwraC6
Name 2-(1,1-dimethylallyl)-3-keto-tetrahydrothiopyran-2-carboxylic acid ethyl ester
Alternate Name(s) 2-(2-Methylbut-3-en-2-yl)-3-oxo-2-thianecarboxylic acid ethyl ester Ethyl 2-(1,1-dimethylallyl)-3-oxo-tetrahydrothiopyran-2-carboxylate Ethyl 2-(2-methylbut-3-en-2-yl)-3-oxidanylidene-thiane-2-carboxylate Ethyl 2-(2-methylbut-3-en-2-yl)-3-oxothiane-2-carboxylate
CAS Registry Number 120571-45-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3S
InChI InChI=1S/C13H20O3S/c1-5-12(3,4)13(11(15)16-6-2)10(14)8-7-9-17-13/h5H,1,6-9H2,2-4H3
InChIKey JBMMLLGTUQHKPM-UHFFFAOYSA-N
Molecular Weight 256.360 g/mol
SMILES C1(C(=O)OCC)(C(C=C)(C)C)C(=O)CCCS1
SPLASH splash10-0006-3910000000-f0c07577f8adb8c26c48
Source of Spectrum F-46-6519-11
Wiley ID 1259555