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2-(3',3'-Bis(ethylsulfanyl)-2'-trifluoromethylallyl)-5-methyl-3-furoic acid

View entire compound with spectra: 1 MS (GC)

2-(3',3'-Bis(ethylsulfanyl)-2'-trifluoromethylallyl)-5-methyl-3-furoic acid
SpectraBase Compound ID 2PXUVs7Dhq
InChI InChI=1S/C14H17F3O3S2/c1-4-21-13(22-5-2)10(14(15,16)17)7-11-9(12(18)19)6-8(3)20-11/h6H,4-5,7H2,1-3H3,(H,18,19)
InChIKey NAXYRSFNZGWKLD-UHFFFAOYSA-N
Mol Weight 354.4 g/mol
Molecular Formula C14H17F3O3S2
Exact Mass 354.057121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kYKxD5Z9b7
Name 2-(3',3'-Bis(ethylsulfanyl)-2'-trifluoromethylallyl)-5-methyl-3-furoic acid
Alternate Name(s) 2-[3,3-bis(ethylsulfanyl)-2-(trifluoromethyl)-2-propenyl]-5-methyl-3-furoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17F3O3S2
InChI InChI=1S/C14H17F3O3S2/c1-4-21-13(22-5-2)10(14(15,16)17)7-11-9(12(18)19)6-8(3)20-11/h6H,4-5,7H2,1-3H3,(H,18,19)
InChIKey NAXYRSFNZGWKLD-UHFFFAOYSA-N
Molecular Weight 354.402 g/mol
SMILES OC(c1c(CC(C(F)(F)F)=C(SCC)SCC)oc(c1)C)=O
SPLASH splash10-03du-0391000000-4936f37bf65eeb7494b4
Source of Spectrum KC-61-4401-8
Wiley ID 1628991