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N-Benzyl-.alpha.-aminomethyleneglutaconic anhydride
SpectraBase Compound ID pIwc6GKWGk
InChI InChI=1S/C13H11NO3/c15-12-7-6-11(13(16)17-12)9-14-8-10-4-2-1-3-5-10/h1-7,9,14H,8H2/b11-9+
InChIKey LHJJPORBSZLTNU-PKNBQFBNSA-N
Mol Weight 229.23 g/mol
Molecular Formula C13H11NO3
Exact Mass 229.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AqjadBRItc0
Name N-Benzyl-.alpha.-aminomethyleneglutaconic anhydride
Alternate Name(s) (3E)-3-[(benzylamino)methylene]-2H-pyran-2,6(3H)-dione
CAS Registry Number 67598-08-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO3
InChI InChI=1S/C13H11NO3/c15-12-7-6-11(13(16)17-12)9-14-8-10-4-2-1-3-5-10/h1-7,9,14H,8H2/b11-9+
InChIKey LHJJPORBSZLTNU-PKNBQFBNSA-N
Molecular Weight 229.235 g/mol
SMILES N(\C=C\1C(OC(C=C1)=O)=O)Cc1ccccc1
SPLASH splash10-0006-9020000000-8bcd31c5197393724e65
Source of Spectrum J-43-4419-0
Wiley ID 1230746