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Cyclohexanemethyl mandelate
SpectraBase Compound ID 2gHWYC4l5gc
InChI InChI=1S/C15H20O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h2,5-6,9-10,12,14,16H,1,3-4,7-8,11H2
InChIKey LKAPCDGIQRXJPT-UHFFFAOYSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQIDR6UFOOj
Name Cyclohexanemethyl mandelate
CAS Registry Number 86328-77-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h2,5-6,9-10,12,14,16H,1,3-4,7-8,11H2
InChIKey LKAPCDGIQRXJPT-UHFFFAOYSA-N
Molecular Weight 248.322 g/mol
SMILES OC(C(OCC1CCCCC1)=O)c1ccccc1
SPLASH splash10-0a4i-9400000000-11053e555471337363ec
Source of Spectrum W5-1989-35127-30409
Synonyms cyclohexylmethyl hydroxy(phenyl)acetate
Wiley ID 1251310