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Cyclohexyl butyrate
SpectraBase Compound ID IwtZ2VLx4nf
InChI InChI=1S/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3
InChIKey VZHUBBUZNIULNM-UHFFFAOYSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzFZm6ixLUD
Name Butyrate
Source of Sample SAFC Cat.no. W235105
CAS Registry Number 1551-44-6
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 170.130679818 u
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3
InChIKey VZHUBBUZNIULNM-UHFFFAOYSA-N
Molecular Weight 170.252 g/mol
Number of Peaks 50
RI1 1226
RI2 904
RI3 894
RI4 849
RI5 1205
SMILES C(CCC)(=O)OC1CCCCC1
SPLASH splash10-00su-9000000000-4c9decb90e698655c91d
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 Butanoic acid, cyclohexyl ester
Wiley ID LM_FFNSC3_927