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3-(1H-benzo[d]imidazol-2-yl)-3-cyanopropyl acetate
SpectraBase Compound ID BaD98BfgHGT
InChI InChI=1S/C13H13N3O2/c1-9(17)18-7-6-10(8-14)13-15-11-4-2-3-5-12(11)16-13/h2-5,10H,6-7H2,1H3,(H,15,16)
InChIKey RMDZSBCPDYEKSO-UHFFFAOYSA-N
Mol Weight 243.27 g/mol
Molecular Formula C13H13N3O2
Exact Mass 243.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CsgEQForm1f
Name 3-(1H-benzo[d]imidazol-2-yl)-3-cyanopropyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O2
InChI InChI=1S/C13H13N3O2/c1-9(17)18-7-6-10(8-14)13-15-11-4-2-3-5-12(11)16-13/h2-5,10H,6-7H2,1H3,(H,15,16)
InChIKey RMDZSBCPDYEKSO-UHFFFAOYSA-N
Molecular Weight 243.266 g/mol
SMILES [nH]1c(nc2ccccc12)C(C#N)CCOC(=O)C
SPLASH splash10-00di-1910000000-d1039e847b43879a4c9a
Source of Spectrum Rinat F. Salikov, et al. Tetrahedron, V.69, 2013, P.3495-3505
Wiley ID 1816907