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9,10-Diiodo-2-nitro-9,10-ethano-9,10-dihydroanthracene

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

9,10-Diiodo-2-nitro-9,10-ethano-9,10-dihydroanthracene
SpectraBase Compound ID BfwkiM5nBrF
InChI InChI=1S/C16H11I2NO2/c17-15-7-8-16(18,12-4-2-1-3-11(12)15)14-9-10(19(20)21)5-6-13(14)15/h1-6,9H,7-8H2
InChIKey URYKUHMJIHTDPH-UHFFFAOYSA-N
Mol Weight 503.08 g/mol
Molecular Formula C16H11I2NO2
Exact Mass 502.887919 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JiImuF2L3Qk
Name 9,10-Diiodo-2-nitro-9,10-ethano-9,10-dihydroanthracene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.887918596 u
Formula C16H11I2NO2
InChI InChI=1S/C16H11I2NO2/c17-15-7-8-16(18,12-4-2-1-3-11(12)15)14-9-10(19(20)21)5-6-13(14)15/h1-6,9H,7-8H2
InChIKey URYKUHMJIHTDPH-UHFFFAOYSA-N
Molecular Weight 503.078 g/mol
SMILES C12(C=3C(=CC=C(N(=O)=O)C3)C(CC1)(I)C1=C2C=CC=C1)I
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861635