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Crotylbarbital
SpectraBase Compound ID 8UXr3CwQbgr
InChI InChI=1S/C10H14N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3,5H,4,6H2,1-2H3,(H2,11,12,13,14,15)/b5-3+
InChIKey KNMOHCLEINXVBG-HWKANZROSA-N
Mol Weight 210.23 g/mol
Molecular Formula C10H14N2O3
Exact Mass 210.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNtqMjIxbvN
Name Crotylbarbital
CAS Registry Number 1952-67-6
Classification Hypnotic
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Exact Mass 210.100442316 u
Formula C10H14N2O3
InChI InChI=1S/C10H14N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3,5H,4,6H2,1-2H3,(H2,11,12,13,14,15)/b5-3+
InChIKey KNMOHCLEINXVBG-HWKANZROSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 210.233 g/mol
SMILES C\C=C\CC1(C(=O)NC(NC1=O)=O)CC
SPLASH splash10-0a4i-7900000000-77a7aacd66888e051a87
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: P G U UHY U+UHYAC
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_699