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(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid
SpectraBase Compound ID DUokFjqrssE
InChI InChI=1S/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)/t9-/m0/s1
InChIKey JJYKJUXBWFATTE-VIFPVBQESA-N
Mol Weight 234.17 g/mol
Molecular Formula C10H9F3O3
Exact Mass 234.050379 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IFErNRpum8
Name Mosher's acid
CAS Registry Number 17257-71-5
Classification Chiral derivatizing agent
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 234.050378636 u
Formula C10H9F3O3
InChI InChI=1S/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)/t9-/m0/s1
InChIKey JJYKJUXBWFATTE-VIFPVBQESA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 234.174 g/mol
Nominal Mass 234 u
Quality 993
Retention Index 1652
SMILES OC([C@](C(F)(F)F)(C1=CC=CC=C1)OC)=O
SPLASH splash10-0550-3900000000-e74280075a238507fa83
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms MTPA a-methoxy-a-trifluoromethylphenylacetic acid 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid
Technique GC/MS
Wiley ID DD2024_029659