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7-Iodo-2-phthalimido-1,6-methano[10]annulene

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7-Iodo-2-phthalimido-1,6-methano[10]annulene
SpectraBase Compound ID 5CREBi1o6yA
InChI InChI=1S/C19H12INO2/c20-16-9-3-6-13-11-12(16)5-4-10-17(13)21-18(22)14-7-1-2-8-15(14)19(21)23/h1-10H,11H2
InChIKey NIYSIEVVUKHUDE-UHFFFAOYSA-N
Mol Weight 413.21 g/mol
Molecular Formula C19H12INO2
Exact Mass 412.991274 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IgoLC6OKg2D
Name 7-Iodo-2-phthalimido-1,6-methano[10]annulene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.991273628 u
Formula C19H12INO2
InChI InChI=1S/C19H12INO2/c20-16-9-3-6-13-11-12(16)5-4-10-17(13)21-18(22)14-7-1-2-8-15(14)19(21)23/h1-10H,11H2
InChIKey NIYSIEVVUKHUDE-UHFFFAOYSA-N
Molecular Weight 413.214 g/mol
SMILES C1(N(C(C2=CC=CC=C12)=O)C=1C=2CC(=C(I)C=CC2)C=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929308