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3-(Pyrene-1-yl)-propionitrile

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3-(Pyrene-1-yl)-propionitrile
SpectraBase Compound ID 5ZDaPiZKiLw
InChI InChI=1S/C19H13N/c20-12-2-5-13-6-7-16-9-8-14-3-1-4-15-10-11-17(13)19(16)18(14)15/h1,3-4,6-11H,2,5H2
InChIKey VULDVXSOKOHIJP-UHFFFAOYSA-N
Mol Weight 255.32 g/mol
Molecular Formula C19H13N
Exact Mass 255.104799 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BfuU8V85Eik
Name 3-(Pyrene-1-yl)-propionitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 255.104799423 u
Formula C19H13N
InChI InChI=1S/C19H13N/c20-12-2-5-13-6-7-16-9-8-14-3-1-4-15-10-11-17(13)19(16)18(14)15/h1,3-4,6-11H,2,5H2
InChIKey VULDVXSOKOHIJP-UHFFFAOYSA-N
Molecular Weight 255.320 g/mol
SMILES C(#N)CCC1=CC=C2C=CC=3C=CC=C4C=CC1=C2C34
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896692