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5-Methoxycarbonyl-4-hydroxy-2-(1,1-difluoroheptyl)thiophene
SpectraBase Compound ID F3B9dzVIvLF
InChI InChI=1S/C13H18F2O3S/c1-3-4-5-6-7-13(14,15)10-8-9(16)11(19-10)12(17)18-2/h8,16H,3-7H2,1-2H3
InChIKey ZSMOYVGJZNJFCZ-UHFFFAOYSA-N
Mol Weight 292.34 g/mol
Molecular Formula C13H18F2O3S
Exact Mass 292.094472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALRykrvePrN
Name 5-Methoxycarbonyl-4-hydroxy-2-(1,1-difluoroheptyl)thiophene
Alternate Name(s) Methyl 5-(1,1-difluoroheptyl)-3-hydroxy-2-thiophenecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18F2O3S
InChI InChI=1S/C13H18F2O3S/c1-3-4-5-6-7-13(14,15)10-8-9(16)11(19-10)12(17)18-2/h8,16H,3-7H2,1-2H3
InChIKey ZSMOYVGJZNJFCZ-UHFFFAOYSA-N
Molecular Weight 292.341 g/mol
SMILES Oc1c(sc(C(F)(F)CCCCCC)c1)C(=O)OC
SPLASH splash10-03di-0090000000-50b2cb7126df96bf78c3
Source of Spectrum SO-0-464-7
Wiley ID 874424