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4,15-Diisocyanato[2.2]paracyclophane

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4,15-Diisocyanato[2.2]paracyclophane
SpectraBase Compound ID GFbXwPKeCXX
InChI InChI=1S/C18H14N2O2/c21-11-19-17-9-13-1-2-14-4-6-16(18(10-14)20-12-22)8-7-15(17)5-3-13/h3-6,9-10H,1-2,7-8H2
InChIKey HTSAKLOTHBHKAT-UHFFFAOYSA-N
Mol Weight 290.32 g/mol
Molecular Formula C18H14N2O2
Exact Mass 290.105528 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CLZDYySUmf2
Name 4,15-Diisocyanato[2.2]paracyclophane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.105527697 u
Formula C18H14N2O2
InChI InChI=1S/C18H14N2O2/c21-11-19-17-9-13-1-2-14-4-6-16(18(10-14)20-12-22)8-7-15(17)5-3-13/h3-6,9-10H,1-2,7-8H2
InChIKey HTSAKLOTHBHKAT-UHFFFAOYSA-N
SMILES C=1(N=C=O)C=2CCC3=C(N=C=O)C=C(CCC(C1)=CC2)C=C3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889742