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Hexanoic acid cyclohexyl ester
SpectraBase Compound ID GymNJL7uN4m
InChI InChI=1S/C12H22O2/c1-2-3-5-10-12(13)14-11-8-6-4-7-9-11/h11H,2-10H2,1H3
InChIKey DTNOERNOMHQUCN-UHFFFAOYSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FW1mnJqDvE
Name Cyclohexyl hexanoate
CAS Registry Number 6243-10-3
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 198.161979946 u
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-2-3-5-10-12(13)14-11-8-6-4-7-9-11/h11H,2-10H2,1H3
InChIKey DTNOERNOMHQUCN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 198.306 g/mol
Nominal Mass 198 u
Quality 1000
Retention Index 1419
SMILES C1(OC(CCCCC)=O)CCCCC1
SPLASH splash10-015c-9200000000-e5bd4dd2760b874cdc61
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Hexanoic acid cyclohexyl ester
Technique GC/MS
Wiley ID DD2024_022459