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6-[Cyano(phenyl}methyl]azulene
SpectraBase Compound ID EJmJLLGJnwS
InChI InChI=1S/C18H13N/c19-13-18(16-5-2-1-3-6-16)17-11-9-14-7-4-8-15(14)10-12-17/h1-12,18H
InChIKey AZRNVSBQSXQKSN-UHFFFAOYSA-N
Mol Weight 243.31 g/mol
Molecular Formula C18H13N
Exact Mass 243.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CeyCrTP8G9G
Name 6-[Cyano(phenyl}methyl]azulene
Alternate Name(s) 6-Azulenyl(phenyl)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N
InChI InChI=1S/C18H13N/c19-13-18(16-5-2-1-3-6-16)17-11-9-14-7-4-8-15(14)10-12-17/h1-12,18H
InChIKey AZRNVSBQSXQKSN-UHFFFAOYSA-N
Molecular Weight 243.309 g/mol
SMILES c12c(ccc(cc2)C(C#N)c2ccccc2)ccc1
SPLASH splash10-0006-0190000000-69abc1c6dea31b3eb5b4
Source of Spectrum U-1994-617-6
Wiley ID 765967