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Ethyl 4-(methoxycarbonyl)-3-(.omega.-chlorohexafluoropropyl)-5-hydroxyhexa-2,4-diencarboxylate
SpectraBase Compound ID K4c48I7p3E4
InChI InChI=1S/C13H13ClF6O5/c1-4-25-8(22)5-7(9(6(2)21)10(23)24-3)11(15,16)12(17,18)13(14,19)20/h5,21H,4H2,1-3H3/b7-5-,9-6+
InChIKey MJRWSBDUJVBEQD-XCZNYUDNSA-N
Mol Weight 398.69 g/mol
Molecular Formula C13H13ClF6O5
Exact Mass 398.03557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzqtcLNof6P
Name Ethyl 4-(methoxycarbonyl)-3-(.omega.-chlorohexafluoropropyl)-5-hydroxyhexa-2,4-diencarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClF6O5
InChI InChI=1S/C13H13ClF6O5/c1-4-25-8(22)5-7(9(6(2)21)10(23)24-3)11(15,16)12(17,18)13(14,19)20/h5,21H,4H2,1-3H3/b7-5-,9-6+
InChIKey MJRWSBDUJVBEQD-XCZNYUDNSA-N
Molecular Weight 398.685 g/mol
SMILES O\C(=C/(\C(C(C(C(F)(F)Cl)(F)F)(F)F)=C\C(=O)OCC)C(=O)OC)C
SPLASH splash10-0006-6059000000-d1c9de66c671810d0abc
Source of Spectrum SO-0-1366-6
Synonyms 1-Ethyl 5-methyl (2Z,4E)-3-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-4-(1-hydroxyethylidene)-2-pentenedioate
Wiley ID 874165