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Isopentyl 2,3,4-trifluorobenzoate

View entire compound with spectra: 1 MS (GC)

Isopentyl 2,3,4-trifluorobenzoate
SpectraBase Compound ID F3jEm2mN1RR
InChI InChI=1S/C12H13F3O2/c1-7(2)5-6-17-12(16)8-3-4-9(13)11(15)10(8)14/h3-4,7H,5-6H2,1-2H3
InChIKey KQKKKTGMOFTTGA-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 ISX907tLOIY
Name Isopentyl 2,3,4-trifluorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13F3O2
InChI InChI=1S/C12H13F3O2/c1-7(2)5-6-17-12(16)8-3-4-9(13)11(15)10(8)14/h3-4,7H,5-6H2,1-2H3
InChIKey KQKKKTGMOFTTGA-UHFFFAOYSA-N
Molecular Weight 246.229 g/mol
SMILES c1cc(C(OCCC(C)C)=O)c(c(c1F)F)F
SPLASH splash10-0ab9-9800000000-e9b7b43083d86fdae0a4
Source of Spectrum NP-6-8467-0
Synonyms 2,3,4-Trifluorobenzoic acid, 3-methylbutyl ester 2,3,4-trifluorobenzoic acid 3-methylbutyl ester 3-Methylbutyl 2,3,4-trifluorobenzoate 3-Methylbutyl 2,3,4-tris(fluoranyl)benzoate
Wiley ID 1106063