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3-chloro-N,N-bis(cyanomethyl)benzamide
SpectraBase Compound ID IpMsyiISjbp
InChI InChI=1S/C11H8ClN3O/c12-10-3-1-2-9(8-10)11(16)15(6-4-13)7-5-14/h1-3,8H,6-7H2
InChIKey MCAVEAMXWWEXPR-UHFFFAOYSA-N
Mol Weight 233.66 g/mol
Molecular Formula C11H8ClN3O
Exact Mass 233.03559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5kqz4n3HPXx
Name 3-Chloro-N,N-bis(cyanomethyl)benzamide
Alternate Name(s) 3-Chloranyl-N,N-bis(cyanomethyl)benzamide Benzamide, 3-chloro-N,N-bis(cyanomethyl)-
CAS Registry Number 54240-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8ClN3O
InChI InChI=1S/C11H8ClN3O/c12-10-3-1-2-9(8-10)11(16)15(6-4-13)7-5-14/h1-3,8H,6-7H2
InChIKey MCAVEAMXWWEXPR-UHFFFAOYSA-N
Molecular Weight 233.658 g/mol
SMILES C(c1cc(Cl)ccc1)(N(CC#N)CC#N)=O
SPLASH splash10-01p9-4900000000-7fe0e72d4368ae27e05c
Source of Spectrum AD-0-2532-0
Wiley ID 1429071