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Isobutyl 4-(trifluoromethyl)benzoate
SpectraBase Compound ID GO8UjfrFA3J
InChI InChI=1S/C12H13F3O2/c1-8(2)7-17-11(16)9-3-5-10(6-4-9)12(13,14)15/h3-6,8H,7H2,1-2H3
InChIKey XMIFFOUOXDBXDN-UHFFFAOYSA-N
Mol Weight 246.23 g/mol
Molecular Formula C12H13F3O2
Exact Mass 246.086764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPbxbW3fAyo
Name Isobutyl 4-(trifluoromethyl)benzoate
CAS Registry Number 252980-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13F3O2
InChI InChI=1S/C12H13F3O2/c1-8(2)7-17-11(16)9-3-5-10(6-4-9)12(13,14)15/h3-6,8H,7H2,1-2H3
InChIKey XMIFFOUOXDBXDN-UHFFFAOYSA-N
Molecular Weight 246.229 g/mol
SMILES CC(C)COC(=O)c1ccc(C(F)(F)F)cc1
SPLASH splash10-05fr-9700000000-c300890ce9404f3341f9
Source of Spectrum NP-6-8475-0
Synonyms 4-Trifluoromethylbenzoic acid, 2-methylpropyl ester 4-(trifluoromethyl)benzoic acid 2-methylpropyl ester 2-Methylpropyl 4-(trifluoromethyl)benzoate
Wiley ID 1106066