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Neopentyl 2-(trifluoromethyl)benzoate
SpectraBase Compound ID LEoddSTOdGR
InChI InChI=1S/C13H15F3O2/c1-12(2,3)8-18-11(17)9-6-4-5-7-10(9)13(14,15)16/h4-7H,8H2,1-3H3
InChIKey RKMZKHYWIMDJIP-UHFFFAOYSA-N
Mol Weight 260.26 g/mol
Molecular Formula C13H15F3O2
Exact Mass 260.102414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IM7tElU2yvF
Name Neopentyl 2-(trifluoromethyl)benzoate
Alternate Name(s) 2-Trifluoromethylbenzoic acid, 2,2-dimethylpropyl ester 2-(trifluoromethyl)benzoic acid 2,2-dimethylpropyl ester 2,2-Dimethylpropyl 2-(trifluoromethyl)benzoate
CAS Registry Number 204779-84-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15F3O2
InChI InChI=1S/C13H15F3O2/c1-12(2,3)8-18-11(17)9-6-4-5-7-10(9)13(14,15)16/h4-7H,8H2,1-3H3
InChIKey RKMZKHYWIMDJIP-UHFFFAOYSA-N
Molecular Weight 260.256 g/mol
SMILES c1ccc(c(c1)C(OCC(C)(C)C)=O)C(F)(F)F
SPLASH splash10-0ab9-9200000000-94a8882d6a63cb29cf2d
Source of Spectrum NP-7-7009-0
Wiley ID 1106754