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Cyclohexyl benzoate
SpectraBase Compound ID F6zS0Blvdhc
InChI InChI=1S/C13H16O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKey DQZKGSRJOUYVPL-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mWggDKaOm0
Name Benzoic acid cyclohexyl ester
CAS Registry Number 2412-73-9
Classification Preservative
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 204.115029753 u
Formula C13H16O2
InChI InChI=1S/C13H16O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKey DQZKGSRJOUYVPL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 204.269 g/mol
Nominal Mass 204 u
Quality 984
Retention Index 1520
SMILES C=1(C(OC2CCCCC2)=O)C=CC=CC1
SPLASH splash10-0ab9-8900000000-f718fe65c59209c1c8f9
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms cyclohexyl benzoate
Technique GC/MS
Wiley ID DD2024_005675