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Butalbital
SpectraBase Compound ID JDWs6gQPm9K
InChI InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
InChIKey UZVHFVZFNXBMQJ-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C11H16N2O3
Exact Mass 224.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Am15LewI9mh
Name Butalbital
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16N2O3
InChI InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
InChIKey UZVHFVZFNXBMQJ-UHFFFAOYSA-N
Molecular Weight 224.260 g/mol
SMILES N1C(=O)NC(C(C1=O)(CC=C)CC(C)C)=O
SPLASH splash10-014l-6900000000-09cca37b720ef251e681
Source of Spectrum SWG-33-4245-0
Synonyms 5-Allyl-5-isobutylbarbituric acid 5-(2-Methylpropyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione 5-Allyl-5-isobutylpyrimidine-2,4,6(1H,3H,5H)-trione
Wiley ID 1810867