For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Cyclopentobarbital
SpectraBase Compound ID Dy1XiTOIZs2
InChI InChI=1S/C12H14N2O3/c1-2-7-12(8-5-3-4-6-8)9(15)13-11(17)14-10(12)16/h2-3,5,8H,1,4,6-7H2,(H2,13,14,15,16,17)
InChIKey XOVJAYNMQDTIJD-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C12H14N2O3
Exact Mass 234.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DlMBKyItrma
Name Cyclopentobarbitone
CAS Registry Number 76-68-6
Classification Pharmaceutical drug, hypnotic
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
DEA Citation 21 CFR §1308.13 (c) (3)
DEA Controlled Substance Form Any compound, mixture or preparation
DEA Controlled Substance Name Barbituric acid derivatives
DEA Controlled Substance Type Salts, isomers, derivatives and salts of isomers and derivatives
DEA Controlled Substances Code Number 2100
DEA Schedule Schedule III
DEA Section Depressants. Unless specifically excepted or unless listed in another schedule, any material, compound, mixture, or preparation which contains any quantity of the following substances having a depressant effect on the central nervous system
Exact Mass 234.100442316 u
Formula C12H14N2O3
InChI InChI=1S/C12H14N2O3/c1-2-7-12(8-5-3-4-6-8)9(15)13-11(17)14-10(12)16/h2-3,5,8H,1,4,6-7H2,(H2,13,14,15,16,17)
InChIKey XOVJAYNMQDTIJD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 234.255 g/mol
Nominal Mass 234 u
Quality 991
Retention Index 1929
SMILES C1(C(NC(NC1=O)=O)=O)(C1C=CCC1)CC=C
SPLASH splash10-014l-9400000000-f76d8d0c57dd6f33cd8f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 5-(1-Cyclopent-2-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Technique GC/MS
Wiley ID DD2024_000839