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Acetic acid, trifluoro-, 3,7-dimethyl-2,6-octadienyl ester, (E)-
SpectraBase Compound ID 3Ox31pZZELY
InChI InChI=1S/C12H17F3O2/c1-9(2)5-4-6-10(3)7-8-17-11(16)12(13,14)15/h5,7H,4,6,8H2,1-3H3/b10-7+
InChIKey XMCQSJKJRZVWKJ-JXMROGBWSA-N
Mol Weight 250.26 g/mol
Molecular Formula C12H17F3O2
Exact Mass 250.118064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uET5yF6zbH
Name Acetic acid, trifluoro-, 3,7-dimethyl-2,6-octadienyl ester, (E)-
CAS Registry Number 74367-67-2
Comments Edited after expert review for air contamination - Original record with SpectrumID 1252994 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17F3O2
InChI InChI=1S/C12H17F3O2/c1-9(2)5-4-6-10(3)7-8-17-11(16)12(13,14)15/h5,7H,4,6,8H2,1-3H3/b10-7+
InChIKey XMCQSJKJRZVWKJ-JXMROGBWSA-N
Molecular Weight 250.261 g/mol
SMILES C(C(=O)OC\C=C\(CCC=C(C)C)C)(F)(F)F
SPLASH splash10-0007-2900000000-2f7f4dfcb5b8b6e85eac
Source of Spectrum W5-21898-0-0
Synonyms (2E)-3,7-dimethyl-2,6-octadienyl trifluoroacetate 2,2,2-trifluoroacetic acid[(2E)-3,7-dimethylocta-2,6-dienyl]ester [(2E)-3,7-dimethylocta-2,6-dienyl]2,2,2-trifluoroacetate [(2E)-3,7-dimethylocta-2,6-dienyl]2,2,2-tris(fluoranyl)ethanoate [(2E)-3,7-dimethylocta-2,6-dienyl] 2,2,2-trifluoroacetate [(2E)-3,7-dimethylocta-2,6-dienyl] 2,2,2-tris(fluoranyl)ethanoate
Wiley ID 1820851