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5-Ethyl-5-(3-hydroxy-1-methylbutyl)-barbituric acid
SpectraBase Compound ID CFN2scLKjZB
InChI InChI=1S/C11H18N2O4/c1-4-11(6(2)5-7(3)14)8(15)12-10(17)13-9(11)16/h6-7,14H,4-5H2,1-3H3,(H2,12,13,15,16,17)
InChIKey XYOPMDJVSWQZTM-UHFFFAOYSA-N
Mol Weight 242.28 g/mol
Molecular Formula C11H18N2O4
Exact Mass 242.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C64qWVD96f0
Name Pentobarbital-M (HO-) @
CAS Registry Number 4241-40-1
Classification Anesthetic Hypnotic
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Exact Mass 242.126657064 u
Formula C11H18N2O4
InChI InChI=1S/C11H18N2O4/c1-4-11(6(2)5-7(3)14)8(15)12-10(17)13-9(11)16/h6-7,14H,4-5H2,1-3H3,(H2,12,13,15,16,17)
InChIKey XYOPMDJVSWQZTM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 242.275 g/mol
SMILES C(C(C)C1(CC)C(=O)NC(NC1=O)=O)C(C)O
SPLASH splash10-0a4i-1900000000-6c7342dd644df7252b47
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: U
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Thiopental-M (HO-pentobarbital)
Technique GC/MS
Wiley ID MMPW6e_838