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Geranic acid
SpectraBase Compound ID KMb50L9TjfO
InChI InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+
InChIKey ZHYZQXUYZJNEHD-VQHVLOKHSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HbU9idCpWwd
Name Geranic acid
CAS Registry Number 459-80-3
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 168.115029753 u
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+
InChIKey ZHYZQXUYZJNEHD-VQHVLOKHSA-N
Molecular Weight 168.236 g/mol
Number of Peaks 50
RI1 1354
RI5 1376
SMILES OC(\C=C\(CCC=C(C)C)C)=O
SPLASH splash10-014l-9100000000-cc05a2b90db07cee1251
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-Octadienoic acid, 3,7-dimethyl-
Wiley ID LM_FFNSC3_2086