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Hex-(3Z)-enoic acid
SpectraBase Compound ID 4c5uSPRtGy3
InChI InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3-
InChIKey XXHDAWYDNSXJQM-ARJAWSKDSA-N
Mol Weight 114.14 g/mol
Molecular Formula C6H10O2
Exact Mass 114.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJzk2r47K4T
Name Hex-(3Z)-enoic acid
Source of Sample Bedoukian F&F Cat.no. 371NAT
CAS Registry Number 1775-43-5
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 114.068079560 u
Formula C6H10O2
InChI InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3-
InChIKey XXHDAWYDNSXJQM-ARJAWSKDSA-N
Molecular Weight 114.144 g/mol
Number of Peaks 50
RI1 996
RI2 667
RI3 1528
RI4 1491
SMILES OC(=O)C\C=C/CC
SPLASH splash10-07bf-9000000000-1bf32f5a01929d8c7c5b
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-Hexenoic acid, (3Z)-
Wiley ID LM_FFNSC3_1951