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Isoamyl benzoate

View entire compound with spectra: 6 NMR, 8 FTIR, 1 Raman, and 13 MS (GC)

Isoamyl benzoate
SpectraBase Compound ID EEJfVK7O4j1
InChI InChI=1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey MLLAPOCBLWUFAP-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID G0J0zSOdj11
Name Isoamyl benzoate
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number B0071
Lot Number 3GEPF-OF
CAS Registry Number 94-46-2
Classification Flavors and Fragrances
Color Properties Colorless
Copyright Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
FEMA Number 2058
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey MLLAPOCBLWUFAP-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Molecular Weight 192.258 g/mol
Purity >98%
Sample Type Organic
Source of Spectrum Bio-Rad Laboratories, Inc.
Synonyms Benzoic acid isoamyl ester; Isopentyl benzoate
Technique ATR-Neat (DuraSamplIR II)