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Geranyl acetate
SpectraBase Compound ID HFavfAAUlDi
InChI InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
InChIKey HIGQPQRQIQDZMP-DHZHZOJOSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CfIVpBSXhW5
Name trans-Geranyl acetate
Source of Sample SAFC Cat.no. W250910
CAS Registry Number 105-87-3
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 196.146329882 u
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
InChIKey HIGQPQRQIQDZMP-DHZHZOJOSA-N
Molecular Weight 196.290 g/mol
Number of Peaks 50
RI1 1380
RI2 1059
RI3 1081
RI4 1037
RI5 1365
SMILES C(=CCC\C(=C\COC(C)=O)C)(C)C
SPLASH splash10-014l-9000000000-d8609949b44cd236f4e3
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 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-
Wiley ID LM_FFNSC3_170