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3-chloro-3-trifluoromethyl-2-thiabicyclo[2.2.1]hept-5-en-2-oxide
SpectraBase Compound ID 7sFyqzkjHxc
InChI InChI=1S/C7H6ClF3OS/c8-6(7(9,10)11)4-1-2-5(3-4)13(6)12/h1-2,4-5H,3H2
InChIKey GWJWHQUTLMGTOU-UHFFFAOYSA-N
Mol Weight 230.63 g/mol
Molecular Formula C7H6ClF3OS
Exact Mass 229.977998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4utbbxIPmlT
Name 3-chloro-3-trifluoromethyl-2-thiabicyclo[2.2.1]hept-5-en-2-oxide
CAS Registry Number 120497-96-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6ClF3OS
InChI InChI=1S/C7H6ClF3OS/c8-6(7(9,10)11)4-1-2-5(3-4)13(6)12/h1-2,4-5H,3H2
InChIKey GWJWHQUTLMGTOU-UHFFFAOYSA-N
Molecular Weight 230.632 g/mol
SMILES C1(S(C2CC1C=C2)=O)(C(F)(F)F)Cl
SPLASH splash10-001i-0900000000-fef87c0e70d87300fbd0
Source of Spectrum K-122-1762-25
Synonyms 3-chloro-3-(trifluoromethyl)-2-thiabicyclo[2.2.1]hept-5-ene 2-oxide
Wiley ID 1231102