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2-Azulenylacetonitrile
SpectraBase Compound ID JY4nt417MHn
InChI InChI=1S/C12H9N/c13-7-6-10-8-11-4-2-1-3-5-12(11)9-10/h1-5,8-9H,6H2
InChIKey SCLFIHYCJSFUFS-UHFFFAOYSA-N
Mol Weight 167.21 g/mol
Molecular Formula C12H9N
Exact Mass 167.073499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGVzOtEBnhE
Name 2-Azulenylacetonitrile
CAS Registry Number 54798-12-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N
InChI InChI=1S/C12H9N/c13-7-6-10-8-11-4-2-1-3-5-12(11)9-10/h1-5,8-9H,6H2
InChIKey SCLFIHYCJSFUFS-UHFFFAOYSA-N
Molecular Weight 167.211 g/mol
SMILES c12c(cc(c2)CC#N)ccccc1
SPLASH splash10-014i-5900000000-5929f203c8025eafed63
Source of Spectrum AD-0-2532-0
Synonyms 2-(2-Azulenyl)acetonitrile 2-Azulen-2-ylacetonitrile 2-Azulen-2-ylethanenitrile Acetonitrile, 2-(2-azulenyl)-
Wiley ID 1425379