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Cyclopentobarbital

View entire compound with spectra: 2 NMR, 3 FTIR, and 6 MS (GC)

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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2MJfIt8Km7e
Name 5-ALLYL-5-(2-CYCLOPENTEN-1-YL)BARBITURIC ACID
Source of Sample Gane'S Chemicals, Inc., New York, New York
CAS Registry Number 76-68-6
Comments CONTROLLED SUBSTANCE LISTED IN THE U.S. CODE OF FEDERAL REGULATIONS
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Melting Point 139-140C
Molecular Weight 234.255005
RTECS Number CP8400500
Synonyms CYCLOPENTOBARBITAL 5-(2-CYCLOPENTEN-1-YL)-5-(2-PROPENYL)-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE BARBITURIC ACID, 5-ALLYL-5-/2- CYCLOPENTEN-1-YL/-, CYCLOPAL
Technique KBr WAFER
Use DEPRESSANT; SEDATIVE; HYPNOTIC