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Crotylbarbital-M (HO-) -H2O
SpectraBase Compound ID EbZByhSKpe4
InChI InChI=1S/C10H12N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3,5-6H,1,4H2,2H3,(H2,11,12,13,14,15)/b6-5+
InChIKey HPMYLNLHESPENB-AATRIKPKSA-N
Mol Weight 208.22 g/mol
Molecular Formula C10H12N2O3
Exact Mass 208.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cDXrsBUKMa
Name Crotylbarbital-M (HO-) -H2O
Classification Hypnotic
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Exact Mass 208.084792251 u
Formula C10H12N2O3
InChI InChI=1S/C10H12N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3,5-6H,1,4H2,2H3,(H2,11,12,13,14,15)/b6-5+
InChIKey HPMYLNLHESPENB-AATRIKPKSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 208.217 g/mol
SMILES CCC1(C(NC(NC1=O)=O)=O)\C=C\C=C
SPLASH splash10-0a4i-7900000000-1559643f7a6d097cdee9
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 UHY 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_700