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(2,4-hexadienylthio)-dimethylmalonate

View entire compound with spectra: 1 MS (GC)

(2,4-hexadienylthio)-dimethylmalonate
SpectraBase Compound ID KbIr3bfwvMO
InChI InChI=1S/C11H16O4S/c1-4-5-6-7-8-16-15-10(14)11(2,3)9(12)13/h4-7H,8H2,1-3H3,(H,12,13)/b5-4+,7-6+
InChIKey NCQCJTNKFNEPEX-YTXTXJHMSA-N
Mol Weight 244.3 g/mol
Molecular Formula C11H16O4S
Exact Mass 244.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CjPs6p1BLBi
Name (2,4-hexadienylthio)-dimethylmalonate
Alternate Name(s) 3-{[(2E,4E)-2,4-hexadienylsulfanyl]oxy}-2,2-dimethyl-3-oxopropanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O4S
InChI InChI=1S/C11H16O4S/c1-4-5-6-7-8-16-15-10(14)11(2,3)9(12)13/h4-7H,8H2,1-3H3,(H,12,13)/b5-4+,7-6+
InChIKey NCQCJTNKFNEPEX-YTXTXJHMSA-N
Molecular Weight 244.305 g/mol
SMILES OC(C(C(=O)OSC\C=C\C=C\C)(C)C)=O
SPLASH splash10-003r-9100000000-b0a6cc533ed2412c97cd
Source of Spectrum K-120-2012-10
Wiley ID 1246649