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Nonadien-1-yl acetate <3,6->
SpectraBase Compound ID 5DR6NLeduQ7
InChI InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5,7-8H,3,6,9-10H2,1-2H3/b5-4+,8-7+
InChIKey CMNKZQXSZSHGNF-AOSYACOCSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gMvIDnCXih
Name Nonadien-1-yl acetate <3,6->
Source of Sample Bedoukian F&F Cat.no. 338
CAS Registry Number 76649-26-8
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 182.130679818 u
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5,7-8H,3,6,9-10H2,1-2H3/b5-4+,8-7+
InChIKey CMNKZQXSZSHGNF-AOSYACOCSA-N
Molecular Weight 182.263 g/mol
Number of Peaks 50
RI1 1297
RI2 975
RI3 1069
RI4 1026
SMILES CC\C=C\C\C=C\CCOC(C)=O
SPLASH splash10-0006-9000000000-83a9d1afbe2f2919f386
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 3,6-Nonadien-1-ol, acetate
Wiley ID LM_FFNSC3_1968