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Verdyl isobutyrate
SpectraBase Compound ID JrePH9slEuN
InChI InChI=1S/C14H20O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h3-4,8-13H,5-7H2,1-2H3
InChIKey NOVRMYIRGSLBER-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TQzfVlNgWo
Name Verdyl isobutyrate
CAS Registry Number 68039-39-4
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 220.146329882 u
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h3-4,8-13H,5-7H2,1-2H3
InChIKey NOVRMYIRGSLBER-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
Number of Peaks 50
RI1 1566
RI2 1244
RI3 1351
RI4 1311
RI5 1542
SMILES CC(C(=O)OC1CC2C3C=CCC3C1C2)C
SPLASH splash10-014l-9300000000-c8eb01de77a2b56ba06a
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Propanoic acid, 2-methyl-, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl ester
Wiley ID LM_FFNSC3_3140