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ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate
SpectraBase Compound ID 1eRd9C6RINi
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
InChIKey NPUKDXXFDDZOKR-UHFFFAOYSA-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 4KhdqPHWe8
Name Etomidate
CAS Registry Number 33125-97-2
Classification Anesthetic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 244.121177761 u
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
InChIKey NPUKDXXFDDZOKR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 244.294 g/mol
SMILES c1[n](C(c2ccccc2)C)c(C(=O)OCC)cn1
SPLASH splash10-0a4i-3900000000-0dc8f9a2427717d5c7d9
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: G P U
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_1924