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Citronellyl acetate
SpectraBase Compound ID DBfoM8v1QyY
InChI InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3
InChIKey JOZKFWLRHCDGJA-UHFFFAOYSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KeZsfxBoZZ8
Name Citronellyl acetate
CAS Registry Number 150-84-5
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 198.161979946 u
Formula C12H22O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3
InChIKey JOZKFWLRHCDGJA-UHFFFAOYSA-N
Molecular Weight 198.306 g/mol
Nominal Mass 198 u
Number of Peaks 110
SMILES C(C(CCOC(C)=O)C)CC=C(C)C
SPLASH splash10-00l6-9100000000-a875f2cb71c12dbbbe49
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001492