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3H-Perylo[1,12-B,C,D]pyran

View entire compound with spectra: 1 FTIR

3H-Perylo[1,12-B,C,D]pyran
SpectraBase Compound ID 3asGvouLKLi
InChI InChI=1S/C21H12O/c1-3-12-7-8-14-11-22-17-10-9-13-4-2-6-16-15(5-1)18(12)20(14)21(17)19(13)16/h1-10H,11H2
InChIKey DYQQMZNVFUYIBE-UHFFFAOYSA-N
Mol Weight 280.33 g/mol
Molecular Formula C21H12O
Exact Mass 280.088815 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID aXjHmP0YLD
Name 3H-Perylo[1,12-B,C,D]pyran
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.088815005 u
Formula C21H12O
InChI InChI=1S/C21H12O/c1-3-12-7-8-14-11-22-17-10-9-13-4-2-6-16-15(5-1)18(12)20(14)21(17)19(13)16/h1-10H,11H2
InChIKey DYQQMZNVFUYIBE-UHFFFAOYSA-N
Molecular Weight 280.326 g/mol
SMILES C1=CC2=CC=C3C4=C2C(=C1)C=1C=2C(=CC=C(C42)OC3)C=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85695