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Isoamyl acetate (mixed isomers: 66.8% isoamyl, 33.2% amyl)

View entire compound with spectra: 1 NMR, and 1 FTIR

Isoamyl acetate (mixed isomers: 66.8% isoamyl, 33.2% amyl)
SpectraBase Compound ID TDxHGqORdg
InChI InChI=1S/99C7H14O2/c66*1-6(2)4-5-9-7(3)8;33*1-3-4-5-6-9-7(2)8/h66*6H,4-5H2,1-3H3;33*3-6H2,1-2H3
InChIKey WLEJGUFVFHADPT-UHFFFAOYSA-N
Mol Weight 13018.7 g/mol
Molecular Formula C700H1400O200
Exact Mass 13009.937969 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID JcIjth9BLMB
Name Isoamyl acetate (mixed isomers: 66.8% Isoamyl, 33.2% Amyl)
ATR Crystal ZnSe
CAS Registry Number 123-92-2
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O2
InChI InChI=1S/99C7H14O2/c66*1-6(2)4-5-9-7(3)8;33*1-3-4-5-6-9-7(2)8/h66*6H,4-5H2,1-3H3;33*3-6H2,1-2H3
InChIKey WLEJGUFVFHADPT-UHFFFAOYSA-N
Synonyms Isoamyl ethanoate; Isopentyl acetate; 3-Methylbutyl acetate; ?-Methylbutyl ethanoate; Acetic acid, isoamyl ester
Technique ATR-Cylindrical Internal Reflectance (CIR)