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Methyl O-[4,4,4-Trifluoro-1-(3'-benzyloxypropyl)-3-(tetrahydropyran-2'-yloxymethyl)butyloxy]carbodithioate
SpectraBase Compound ID 1Ou9i2wSXsX
InChI InChI=1S/C22H31F3O4S2/c1-31-21(30)29-19(10-7-12-26-15-17-8-3-2-4-9-17)14-18(22(23,24)25)16-28-20-11-5-6-13-27-20/h2-4,8-9,18-20H,5-7,10-16H2,1H3
InChIKey WTZBANIYOOVDCK-UHFFFAOYSA-N
Mol Weight 480.6 g/mol
Molecular Formula C22H31F3O4S2
Exact Mass 480.161586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 54kLIUJcepZ
Name Methyl O-[4,4,4-Trifluoro-1-(3'-benzyloxypropyl)-3-(tetrahydropyran-2'-yloxymethyl)butyloxy]carbodithioate
Alternate Name(s) O-{1-[3-(benzyloxy)propyl]-4,4,4-trifluoro-3-[(tetrahydro-2H-pyran-2-yloxy)methyl]butyl} S-methyl dithiocarbonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31F3O4S2
InChI InChI=1S/C22H31F3O4S2/c1-31-21(30)29-19(10-7-12-26-15-17-8-3-2-4-9-17)14-18(22(23,24)25)16-28-20-11-5-6-13-27-20/h2-4,8-9,18-20H,5-7,10-16H2,1H3
InChIKey WTZBANIYOOVDCK-UHFFFAOYSA-N
Molecular Weight 480.601 g/mol
SMILES C(C(CC(OC(=S)SC)CCCOCc1ccccc1)COC1OCCCC1)(F)(F)F
SPLASH splash10-000f-9100000000-c05eb4291ce5cfda6000
Source of Spectrum U1-1999-2542-30
Wiley ID 752175