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3-Benzylamino-2-cyanomethyl-2-buten-4-olide

View entire compound with spectra: 1 MS (GC)

3-Benzylamino-2-cyanomethyl-2-buten-4-olide
SpectraBase Compound ID wIzqO0swog
InChI InChI=1S/C13H12N2O2/c14-7-6-11-12(9-17-13(11)16)15-8-10-4-2-1-3-5-10/h1-5,15H,6,8-9H2
InChIKey BZIOKUMHDIBMJI-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C13H12N2O2
Exact Mass 228.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dJaKkMzzgs
Name 3-Benzylamino-2-cyanomethyl-2-buten-4-olide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O2
InChI InChI=1S/C13H12N2O2/c14-7-6-11-12(9-17-13(11)16)15-8-10-4-2-1-3-5-10/h1-5,15H,6,8-9H2
InChIKey BZIOKUMHDIBMJI-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 228.251 g/mol
SMILES N(C1=C(CC#N)C(=O)OC1)Cc1ccccc1
SPLASH splash10-0006-9020000000-975099d207c7dac788bb
Source of Spectrum SRH-2022-8127-0
Wiley ID 1829833