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1,2,3-trimethoxy-5-methyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfanyl)benzene
SpectraBase Compound ID 6u95zVOMIFX
InChI InChI=1S/C16H13F13O3S/c1-6-5-7(30-2)8(31-3)9(32-4)10(6)33-16(28,29)14(23,24)12(19,20)11(17,18)13(21,22)15(25,26)27/h5H,1-4H3
InChIKey NCPCQOXSRQWLSZ-UHFFFAOYSA-N
Mol Weight 532.32 g/mol
Molecular Formula C16H13F13O3S
Exact Mass 532.037782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFtQUmGqUvm
Name 1,2,3-trimethoxy-5-methyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfanyl)benzene
Appearance Light yellow liquid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 532.037781569 u
Formula C16H13F13O3S
InChI InChI=1S/C16H13F13O3S/c1-6-5-7(30-2)8(31-3)9(32-4)10(6)33-16(28,29)14(23,24)12(19,20)11(17,18)13(21,22)15(25,26)27/h5H,1-4H3
InChIKey NCPCQOXSRQWLSZ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200885
Molecular Weight 532.316 g/mol
Quality 179
Reported Formula C16H13F13O3S
SMILES C1=C(C(=C(C(=C1OC)OC)OC)SC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C
SPLASH splash10-053r-2900010000-daabe3f0f3c9eec09409
Source of Spectrum K1-2022-SM9-5f (DOI: 10.1002/ejoc.202200885)
Wiley ID 1898912