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3-Furancarboxylic acid, tetrahydro-5,5-dimethyl-4-propyl-2-thioxo-, ethyl ester
SpectraBase Compound ID IAADQYjSkt4
InChI InChI=1S/C12H20O3S/c1-5-7-8-9(10(13)14-6-2)11(16)15-12(8,3)4/h8-9H,5-7H2,1-4H3
InChIKey ZLLPXNXAXIDXPS-UHFFFAOYSA-N
Mol Weight 244.35 g/mol
Molecular Formula C12H20O3S
Exact Mass 244.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAIh7DTa7yz
Name 3-Furancarboxylic acid, tetrahydro-5,5-dimethyl-4-propyl-2-thioxo-, ethyl ester
CAS Registry Number 72922-48-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3S
InChI InChI=1S/C12H20O3S/c1-5-7-8-9(10(13)14-6-2)11(16)15-12(8,3)4/h8-9H,5-7H2,1-4H3
InChIKey ZLLPXNXAXIDXPS-UHFFFAOYSA-N
Molecular Weight 244.349 g/mol
SMILES C1(C(C(CCC)C(O1)(C)C)C(=O)OCC)=S
SPLASH splash10-0006-4930000000-72bb4db19b2aaa4f128d
Source of Spectrum F-35-1343-0
Synonyms Ethyl 5,5-dimethyl-4-propyl-2-thioxotetrahydro-3-furancarboxylate Tetrahydro-4-propyl-5,5-dimethyl-2-thione-3-furancarboxylic acid ethylester
Wiley ID 1246783