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n-Butyl 2,6,6-trimethyl-4-thioxo-5,6-dihydro-4H-pyran-3-carboxylate
SpectraBase Compound ID J8r6ySRkqqG
InChI InChI=1S/C13H20O3S/c1-5-6-7-15-12(14)11-9(2)16-13(3,4)8-10(11)17/h5-8H2,1-4H3
InChIKey MERVGSCKKCIWLH-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 4R06zFiatX9
Name n-Butyl 2,6,6-trimethyl-4-thioxo-5,6-dihydro-4H-pyran-3-carboxylate
Alternate Name(s) Butyl 2,2,6-trimethyl-4-thioxo-3,4-dihydro-2H-pyran-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3S
InChI InChI=1S/C13H20O3S/c1-5-6-7-15-12(14)11-9(2)16-13(3,4)8-10(11)17/h5-8H2,1-4H3
InChIKey MERVGSCKKCIWLH-UHFFFAOYSA-N
Molecular Weight 256.360 g/mol
SMILES C1(=C(C(CC(O1)(C)C)=S)C(=O)OCCCC)C
SPLASH splash10-0udi-0790000000-84918a38c6acc930b0b2
Source of Spectrum J-64-6186-7
Wiley ID 1530787