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2-Hydroxy-3-(methoxycarbonyl)-4-(.omega.-chlorohexafluoropropyl)hepta-2,4-dien-6-one
SpectraBase Compound ID LnILNKzwabK
InChI InChI=1S/C12H11ClF6O4/c1-5(20)4-7(8(6(2)21)9(22)23-3)10(14,15)11(16,17)12(13,18)19/h4,21H,1-3H3/b7-4-,8-6+
InChIKey ZRWJFIIYBIMFBQ-ZJLRGQKUSA-N
Mol Weight 368.66 g/mol
Molecular Formula C12H11ClF6O4
Exact Mass 368.025006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32oaAYKSB1b
Name 2-Hydroxy-3-(methoxycarbonyl)-4-(.omega.-chlorohexafluoropropyl)hepta-2,4-dien-6-one
Alternate Name(s) Methyl (2E,3Z)-3-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2-(1-hydroxyethylidene)-5-oxo-3-hexenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11ClF6O4
InChI InChI=1S/C12H11ClF6O4/c1-5(20)4-7(8(6(2)21)9(22)23-3)10(14,15)11(16,17)12(13,18)19/h4,21H,1-3H3/b7-4-,8-6+
InChIKey ZRWJFIIYBIMFBQ-ZJLRGQKUSA-N
Molecular Weight 368.659 g/mol
SMILES O\C(=C/(\C(C(C(C(F)(Cl)F)(F)F)(F)F)=C\C(=O)C)C(=O)OC)C
SPLASH splash10-0f6x-6029000000-bcb09af0374ebe31c2b5
Source of Spectrum SO-0-1366-6
Wiley ID 874168