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trifluoroacetic acid, hexyl ester
SpectraBase Compound ID 6cA9coiuk4o
InChI InChI=1S/C8H13F3O2/c1-2-3-4-5-6-13-7(12)8(9,10)11/h2-6H2,1H3
InChIKey DTTIQEHOYLOWDU-UHFFFAOYSA-N
Mol Weight 198.19 g/mol
Molecular Formula C8H13F3O2
Exact Mass 198.086764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pP6ULD4t2O
Name Hexanol TFA
CAS Registry Number 400-61-3
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 198.086764146 u
Formula C8H13F3O2
InChI InChI=1S/C8H13F3O2/c1-2-3-4-5-6-13-7(12)8(9,10)11/h2-6H2,1H3
InChIKey DTTIQEHOYLOWDU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 198.185 g/mol
Nominal Mass 198 u
Quality 1000
Retention Index 1343
SMILES C(C(OCCCCCC)=O)(F)(F)F
SPLASH splash10-0aou-9000000000-9181d253dc0dd38e5ef3
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Hexyl trifluoroacetate
Technique GC/MS
Wiley ID DD2024_026132