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2C-T-4 HFBA Derivative
SpectraBase Compound ID EcbUKELRSsg
InChI InChI=1S/C17H20F7NO3S/c1-9(2)29-13-8-11(27-3)10(7-12(13)28-4)5-6-25-14(26)15(18,19)16(20,21)17(22,23)24/h7-9H,5-6H2,1-4H3,(H,25,26)
InChIKey MJZJFNYYTVPRAW-UHFFFAOYSA-N
Mol Weight 451.4 g/mol
Molecular Formula C17H20F7NO3S
Exact Mass 451.105212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9iHg3OEeHue
Name 2C-T-4 HFBA Derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20F7NO3S
InChI InChI=1S/C17H20F7NO3S/c1-9(2)29-13-8-11(27-3)10(7-12(13)28-4)5-6-25-14(26)15(18,19)16(20,21)17(22,23)24/h7-9H,5-6H2,1-4H3,(H,25,26)
InChIKey MJZJFNYYTVPRAW-UHFFFAOYSA-N
Molecular Weight 451.400 g/mol
SMILES N(CCc1c(cc(c(c1)OC)SC(C)C)OC)C(C(C(C(F)(F)F)(F)F)(F)F)=O
SPLASH splash10-0fai-3920100000-9011a30c4b4e1096f194
Source of Spectrum SWG-33-3433-0
Synonyms 2,2,3,3,4,4,4-heptafluoro-N-(4-(isopropylthio)-2,5-dimethoxyphenethyl)butanamide
Wiley ID 1810252