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(2Z)-2-Butenedioic acid, mono(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) ester
SpectraBase Compound ID KGZ4uDF71wH
InChI InChI=1S/C12H7F13O4/c13-7(14,3-4-29-6(28)2-1-5(26)27)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1-2H,3-4H2,(H,26,27)/b2-1+
InChIKey ASNBYHYBHIOMQG-OWOJBTEDSA-N
Mol Weight 462.16 g/mol
Molecular Formula C12H7F13O4
Exact Mass 462.013675 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID IbRh5FCc44e
Name (2Z)-2-Butenedioic acid, mono(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) ester
CAS Registry Number 54950-02-6
Compound Type Pure
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7F13O4
InChI InChI=1S/C12H7F13O4/c13-7(14,3-4-29-6(28)2-1-5(26)27)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1-2H,3-4H2,(H,26,27)/b2-1+
InChIKey ASNBYHYBHIOMQG-OWOJBTEDSA-N
Molecular Weight 462.163 g/mol
Raman Corrections Referenced to internal white light source; 180 Degree backscatter
Raman Laser Source Nd:YAG
Sample Description white powder
Source of Spectrum Forensic Spectral Research
Synonyms (E)-4-Oxo-4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)but-2-enoic acid
Technique FT-Raman