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N-Benzyl-1,2,3,4-tetrahydrocyclobuta[b]pyridine-5,6-dione
SpectraBase Compound ID 1f2tI4Uw52J
InChI InChI=1S/C14H13NO2/c16-13-11-7-4-8-15(12(11)14(13)17)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKey YCGTYZLRYXVMRE-UHFFFAOYSA-N
Mol Weight 227.26 g/mol
Molecular Formula C14H13NO2
Exact Mass 227.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CutbhLtD4z
Name N-Benzyl-1,2,3,4-tetrahydrocyclobuta[b]pyridine-5,6-dione
CAS Registry Number 135831-80-0
Comments Less than 3 mono-isotopic peaks
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Formula C14H13NO2
InChI InChI=1S/C14H13NO2/c16-13-11-7-4-8-15(12(11)14(13)17)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKey YCGTYZLRYXVMRE-UHFFFAOYSA-N
Molecular Weight 227.263 g/mol
SMILES C12=C(CCCN2Cc2ccccc2)C(C1=O)=O
SPLASH splash10-0002-0900000000-6ae2d3c31fdca50e8439
Source of Spectrum J-56-6383-11
Synonyms 2-benzyl-2-azabicyclo[4.2.0]oct-1(6)-ene-7,8-dione
Wiley ID 1228753