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S-methyl-O-((rac)-[2.2]paracyclophan-4-yl)(trifluormethyl)methyl dithiocarbonate
SpectraBase Compound ID E3dsIi1YzGz
InChI InChI=1S/C20H19F3OS2/c1-26-19(25)24-18(20(21,22)23)17-12-15-7-6-13-2-4-14(5-3-13)8-10-16(17)11-9-15/h2-5,9,11-12,18H,6-8,10H2,1H3
InChIKey HRBUOMZLOMZYCB-UHFFFAOYSA-N
Mol Weight 396.49 g/mol
Molecular Formula C20H19F3OS2
Exact Mass 396.082942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vmtRac3rv4
Name S-methyl-O-((rac)-[2.2]paracyclophan-4-yl)(trifluormethyl)methyl dithiocarbonate
Alternate Name(s) O-(1-(1,4(1,4)-dibenzenacyclohexaphane-1(2)-yl)-2,2,2-trifluoroethyl) S-methyl carbonodithioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19F3OS2
InChI InChI=1S/C20H19F3OS2/c1-26-19(25)24-18(20(21,22)23)17-12-15-7-6-13-2-4-14(5-3-13)8-10-16(17)11-9-15/h2-5,9,11-12,18H,6-8,10H2,1H3
InChIKey HRBUOMZLOMZYCB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ijch.201100079
Molecular Weight 396.486 g/mol
SMILES c1c2c(cc(c1)CCc1ccc(cc1)CC2)C(OC(SC)=S)C(F)(F)F
SPLASH splash10-0udr-1912000000-4f6783d62599341cd257
Source of Spectrum TI-52-146-3c_Me
Wiley ID 1806678