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Cyclobarbital-M (HO-) -H2O
SpectraBase Compound ID 5iD21dpMJUn
InChI InChI=1S/C12H14N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-4,7H,2,5-6H2,1H3,(H2,13,14,15,16,17)
InChIKey WAZFHHUXTNBYST-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C12H14N2O3
Exact Mass 234.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJ0473BHFJA
Name Cyclobarbital-M (HO-) -H2O
Classification Hypnotic
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Exact Mass 234.100442316 u
Formula C12H14N2O3
InChI InChI=1S/C12H14N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-4,7H,2,5-6H2,1H3,(H2,13,14,15,16,17)
InChIKey WAZFHHUXTNBYST-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 234.255 g/mol
SMILES C(C)C1(C(=O)NC(NC1=O)=O)C=1CC=CCC1
SPLASH splash10-0a5c-4890000000-4d80e70c21ca85b18164
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 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_702