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1,3-Benzenediacetonitrile, .alpha.,.alpha.'-dimethyl-, (R*,R*)-(.+-.)-
SpectraBase Compound ID 4WyEXTTsHMg
InChI InChI=1S/C12H12N2/c1-9(7-13)11-4-3-5-12(6-11)10(2)8-14/h3-6,9-10H,1-2H3/t9-,10-/m0/s1
InChIKey VHZQMZXIXSNFPJ-UWVGGRQHSA-N
Mol Weight 184.24 g/mol
Molecular Formula C12H12N2
Exact Mass 184.100048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38wlo84C1kW
Name 1,3-Benzenediacetonitrile, .alpha.,.alpha.'-dimethyl-, (R*,R*)-(.+-.)-
CAS Registry Number 59508-37-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2
InChI InChI=1S/C12H12N2/c1-9(7-13)11-4-3-5-12(6-11)10(2)8-14/h3-6,9-10H,1-2H3/t9-,10-/m0/s1
InChIKey VHZQMZXIXSNFPJ-UWVGGRQHSA-N
Molecular Weight 184.242 g/mol
SMILES C(#N)[C@@](c1cc([C@](C#N)(C)[H])ccc1)(C)[H]
SPLASH splash10-001i-0900000000-a4d305f004407682101c
Source of Spectrum F-32-490-0
Synonyms (2R)-2-{3-[(1R)-1-cyanoethyl]phenyl}propanenitrile M-bis(cyanoethyl)benzene
Wiley ID 1181175