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Nona-1,6-dien-3-ol <3,7-dimethyl-> acetate
SpectraBase Compound ID 5AEt6Qb6JoD
InChI InChI=1S/C13H22O2/c1-6-11(3)9-8-10-13(5,7-2)15-12(4)14/h7,9H,2,6,8,10H2,1,3-5H3/b11-9+
InChIKey IVSZEHYDOLAREK-PKNBQFBNSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jsOJvhGIP4
Name Nona-1,6-dien-3-ol <3,7-dimethyl-> acetate
CAS Registry Number 61931-80-4
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 210.161979946 u
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-6-11(3)9-8-10-13(5,7-2)15-12(4)14/h7,9H,2,6,8,10H2,1,3-5H3/b11-9+
InChIKey IVSZEHYDOLAREK-PKNBQFBNSA-N
Molecular Weight 210.317 g/mol
Number of Peaks 50
RI1 1344
RI2 1021
SMILES C=CC(CC\C=C\(CC)C)(OC(C)=O)C
SPLASH splash10-0006-9000000000-f087493f831eb4e93e72
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 1,6-Nonadien-3-ol, 3,7-dimethyl-, acetate
Wiley ID LM_FFNSC3_1229