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Isobutylacetate
SpectraBase Compound ID 21eblJKSqoB
InChI InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
InChIKey GJRQTCIYDGXPES-UHFFFAOYSA-N
Mol Weight 116.16 g/mol
Molecular Formula C6H12O2
Exact Mass 116.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFmyOK5i1uG
Name Acetate
Source of Sample SAFC Cat. #W217506
CAS Registry Number 110-19-0
Classification Solvents
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 116.083729624 u
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
InChIKey GJRQTCIYDGXPES-UHFFFAOYSA-N
Molecular Weight 116.160 g/mol
Number of Peaks 39
RI1 768
RI2 754
SMILES CC(COC(C)=O)C
SPLASH splash10-0006-9000000000-8a7dab68fe6814595875
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Acetic acid, 2-methylpropyl ester
Wiley ID LM_PEST_1227