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Acetic acid cyclohexyl ester
SpectraBase Compound ID XkaYagjCTR
InChI InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKey YYLLIJHXUHJATK-UHFFFAOYSA-N
Mol Weight 142.2 g/mol
Molecular Formula C8H14O2
Exact Mass 142.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WE6SNtBaXw
Name Cyclohexyl acetate
CAS Registry Number 622-45-7
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 142.099379689 u
Formula C8H14O2
InChI InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKey YYLLIJHXUHJATK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 142.198 g/mol
Nominal Mass 142 u
Quality 1000
Retention Index 1067
SMILES C1(OC(=O)C)CCCCC1
SPLASH splash10-00l6-9000000000-ea293e0681f89288bd8e
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Acetic acid cyclohexyl ester
Technique GC/MS
Wiley ID DD2024_022272