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Methanesulfonic acid, trifluoro-, 1,4-dimethyl-1,3-hexadien-5-ynyl ester, (E,Z)-
SpectraBase Compound ID IfUZnswgWJt
InChI InChI=1S/C9H9F3O3S/c1-4-7(2)5-6-8(3)15-16(13,14)9(10,11)12/h1,5-6H,2-3H3/b7-5-,8-6+
InChIKey ACLGMMMJQVDXDT-CGXWXWIYSA-N
Mol Weight 254.22 g/mol
Molecular Formula C9H9F3O3S
Exact Mass 254.02245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jcz1URrVQ7
Name Methanesulfonic acid, trifluoro-, 1,4-dimethyl-1,3-hexadien-5-ynyl ester, (E,Z)-
Alternate Name(s) (1E,3Z)-1,4-dimethyl-1,3-hexadien-5-ynyl trifluoromethanesulfonate (E)-1,4-Dimethyl-1,3-hexadien-5-in-1-yl-triflate
CAS Registry Number 93362-61-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9F3O3S
InChI InChI=1S/C9H9F3O3S/c1-4-7(2)5-6-8(3)15-16(13,14)9(10,11)12/h1,5-6H,2-3H3/b7-5-,8-6+
InChIKey ACLGMMMJQVDXDT-CGXWXWIYSA-N
Molecular Weight 254.223 g/mol
SMILES C(S(O\C(=C\C=C/(C#C)C)C)(=O)=O)(F)(F)F
SPLASH splash10-0fou-9540000000-2b2e46c630dba01e668b
Source of Spectrum K-117-3016-0
Wiley ID 1257160