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Etomidate

View entire compound with spectra: 1 FTIR, 1 Raman, and 2 MS (GC)

Etomidate
SpectraBase Compound ID 5v9yGfwl5jc
InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
InChIKey NPUKDXXFDDZOKR-LLVKDONJSA-N
Mol Weight 244.29 g/mol
Molecular Formula C14H16N2O2
Exact Mass 244.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpSNkohw5fe
Name Etomidate
Alternate Name(s) 1-[(1R)-1-Phenylethyl]-1H-imidazole-5-carboxylic acid ethyl ester R 16659 Ethyl (R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylate
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Formula C14H16N2O2
InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
InChIKey NPUKDXXFDDZOKR-LLVKDONJSA-N
Molecular Weight 244.294 g/mol
SMILES c1ccc(cc1)[C@]([n]1c(cnc1)C(OCC)=O)(C)[H]
SPLASH splash10-0a4i-3900000000-e56a12f03e5e08ed49d0
Source of Spectrum SWG-33-4676-0
Wiley ID 1811272