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3-Thietanecarboxylic acid, 3-methyl-2-oxo-, ethyl ester
SpectraBase Compound ID 12cNNKiJD0L
InChI InChI=1S/C7H10O3S/c1-3-10-5(8)7(2)4-11-6(7)9/h3-4H2,1-2H3
InChIKey PAUQDPFLJXRBLN-UHFFFAOYSA-N
Mol Weight 174.21 g/mol
Molecular Formula C7H10O3S
Exact Mass 174.035065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BqdRUS9IhX
Name 3-Thietanecarboxylic acid, 3-methyl-2-oxo-, ethyl ester
Alternate Name(s) Ethyl 3-methyl-2-oxo-3-thietanecarboxylate
CAS Registry Number 114739-28-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O3S
InChI InChI=1S/C7H10O3S/c1-3-10-5(8)7(2)4-11-6(7)9/h3-4H2,1-2H3
InChIKey PAUQDPFLJXRBLN-UHFFFAOYSA-N
Molecular Weight 174.214 g/mol
SMILES C1(C(=O)SC1)(C(=O)OCC)C
SPLASH splash10-00kb-9100000000-320e7790377e59bd138b
Source of Spectrum C-110-4652-16
Wiley ID 1170111