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MEIRRNXMZYDVDW-MQQKCMAXSA-N
SpectraBase Compound ID 4mJx3QsxEsD
InChI InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3/b3-2+,5-4+
InChIKey MEIRRNXMZYDVDW-MQQKCMAXSA-N
Mol Weight 98.14 g/mol
Molecular Formula C6H10O
Exact Mass 98.073165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZIDoWtjle5
Name Sorbic alcohol
Source of Sample SAFC Cat.no. W507903
CAS Registry Number 17102-64-6
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 98.073164941 u
Formula C6H10O
InChI InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3/b3-2+,5-4+
InChIKey MEIRRNXMZYDVDW-MQQKCMAXSA-N
Molecular Weight 98.145 g/mol
Number of Peaks 50
RI1 920
RI2 598
SMILES OC\C=C\C=C\C
SPLASH splash10-0536-9000000000-049eca3bfbc27a33fd33
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 2,4-Hexadien-1-ol, (2E,4E)-
Wiley ID LM_FFNSC3_859