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4-(1,3-dithian-2-ylidene)-2-hydroxy-2,3-dimethylbutanoic acid ethyl ester
SpectraBase Compound ID 7VKpXjEtZJa
InChI InChI=1S/C12H20O3S2/c1-4-15-11(13)12(3,14)9(2)8-10-16-6-5-7-17-10/h8-9,14H,4-7H2,1-3H3
InChIKey CHVIGAODUNWANY-UHFFFAOYSA-N
Mol Weight 276.41 g/mol
Molecular Formula C12H20O3S2
Exact Mass 276.085387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DBOvc4YfCv1
Name 4-(1,3-dithian-2-ylidene)-2-hydroxy-2,3-dimethylbutanoic acid ethyl ester
CAS Registry Number 106520-16-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3S2
InChI InChI=1S/C12H20O3S2/c1-4-15-11(13)12(3,14)9(2)8-10-16-6-5-7-17-10/h8-9,14H,4-7H2,1-3H3
InChIKey CHVIGAODUNWANY-UHFFFAOYSA-N
Molecular Weight 276.409 g/mol
SMILES OC(C(C=C1SCCCS1)C)(C(=O)OCC)C
SPLASH splash10-0a4i-0900000000-40760effe8523ef999f1
Source of Spectrum J-52-860-7
Synonyms 2-(1-Methyl-2-anti-hydroxy-2-ethoxycarbonylpropylmethylene)-1,3-dithiacyclohexane Ethyl 4-(1,3-dithian-2-ylidene)-2-hydroxy-2,3-dimethylbutanoate
Wiley ID 1279652