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 |