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[2-(1-hydroxycyclohexyl)-2-oxo-ethyl] benzoate
SpectraBase Compound ID 5VaToxvhBUq
InChI InChI=1S/C15H18O4/c16-13(15(18)9-5-2-6-10-15)11-19-14(17)12-7-3-1-4-8-12/h1,3-4,7-8,18H,2,5-6,9-11H2
InChIKey SGYQZFRDSXANHJ-UHFFFAOYSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID z649zediVS
Name [2-(1-hydroxycyclohexyl)-2-oxo-ethyl] benzoate
Appearance White crystals
Carrier Gas helium
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Exact Mass 262.120509056 u
Formula C15H18O4
GC Oven Program Oven temp 250oC
InChI InChI=1S/C15H18O4/c16-13(15(18)9-5-2-6-10-15)11-19-14(17)12-7-3-1-4-8-12/h1,3-4,7-8,18H,2,5-6,9-11H2
InChIKey SGYQZFRDSXANHJ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP5050A
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901226
Molecular Weight 262.305 g/mol
Quality 168
SMILES OC1(C(COC(=O)C2=CC=CC=C2)=O)CCCCC1
SPLASH splash10-0a4j-9400000000-b65d55a664ba9941c638
Source of Spectrum K1-2019-SM5-3c (DOI: 10.1002/ejoc.201901226)
Wiley ID 1892271