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N-[2-(1,3-benzodioxol-5-yl)-1-cyano-ethyl]acetamide
SpectraBase Compound ID 6SZzEkYiqtV
InChI InChI=1S/C12H12N2O3/c1-8(15)14-10(6-13)4-9-2-3-11-12(5-9)17-7-16-11/h2-3,5,10H,4,7H2,1H3,(H,14,15)
InChIKey PRHHNPKIQRUMFS-UHFFFAOYSA-N
Mol Weight 232.24 g/mol
Molecular Formula C12H12N2O3
Exact Mass 232.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3yjv5ijeg1Z
Name N-[2-(1,3-benzodioxol-5-yl)-1-cyano-ethyl]acetamide
Alternate Name(s) N-[2-(1,3-benzodioxol-5-yl)-1-cyano-ethyl]ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O3
InChI InChI=1S/C12H12N2O3/c1-8(15)14-10(6-13)4-9-2-3-11-12(5-9)17-7-16-11/h2-3,5,10H,4,7H2,1H3,(H,14,15)
InChIKey PRHHNPKIQRUMFS-UHFFFAOYSA-N
Molecular Weight 232.239 g/mol
SMILES N(C(=O)C)C(C#N)Cc1cc2OCOc2cc1
SPLASH splash10-000i-0900000000-dacf01b21d7df93a0bea
Source of Spectrum SK-27-943-4
Wiley ID 867695