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(E)-[2-(1,2-Dimethyl-3-oxopentenyl)-ethyl]-acetate

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

(E)-[2-(1,2-Dimethyl-3-oxopentenyl)-ethyl]-acetate
SpectraBase Compound ID CupmivZJ3bJ
InChI InChI=1S/C11H18O3/c1-8-10(13)4-5-11(8,3)6-7-14-9(2)12/h8H,4-7H2,1-3H3
InChIKey OYOPLZMMWLDPEM-UHFFFAOYSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KuU9wC1Hxcf
Name (E)-[2-(1,2-Dimethyl-3-oxopentenyl)-ethyl]-acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.125594437 u
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-8-10(13)4-5-11(8,3)6-7-14-9(2)12/h8H,4-7H2,1-3H3
InChIKey OYOPLZMMWLDPEM-UHFFFAOYSA-N
Molecular Weight 198.262 g/mol
SMILES C1(=O)C(C(CC1)(CCOC(=O)C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966619