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(1'-Pyrenyl)-acetonitrile
SpectraBase Compound ID 40HGasACCnp
InChI InChI=1S/C18H11N/c19-11-10-12-4-5-15-7-6-13-2-1-3-14-8-9-16(12)18(15)17(13)14/h1-9H,10H2
InChIKey CDATVYIWBHUBMH-UHFFFAOYSA-N
Mol Weight 241.29 g/mol
Molecular Formula C18H11N
Exact Mass 241.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pxK8Fv0Wm0
Name (1'-Pyrenyl)-acetonitrile
CAS Registry Number 64764-29-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11N
InChI InChI=1S/C18H11N/c19-11-10-12-4-5-15-7-6-13-2-1-3-14-8-9-16(12)18(15)17(13)14/h1-9H,10H2
InChIKey CDATVYIWBHUBMH-UHFFFAOYSA-N
Molecular Weight 241.293 g/mol
SMILES c12c3ccc4c2c(ccc1ccc3CC#N)ccc4
SPLASH splash10-0006-0090000000-ecddd11ed1ecc514959f
Source of Spectrum CRT-6-39-C
Synonyms 2-(1-Pyrenyl)acetonitrile 2-pyren-1-ylethanenitrile
Wiley ID 1709387