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3-Nitro-9,10-dihydro-9,10-ethanoanthracene-9-carbaldehyde

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

3-Nitro-9,10-dihydro-9,10-ethanoanthracene-9-carbaldehyde
SpectraBase Compound ID II61AEnJM3u
InChI InChI=1S/C17H13NO3/c19-10-17-8-7-12(13-3-1-2-4-15(13)17)14-9-11(18(20)21)5-6-16(14)17/h1-6,9-10,12H,7-8H2
InChIKey ZYAPQXFTRSQGLZ-UHFFFAOYSA-N
Mol Weight 279.29 g/mol
Molecular Formula C17H13NO3
Exact Mass 279.089543 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 92I9TP4IVyn
Name 3-Nitro-9,10-dihydro-9,10-ethanoanthracene-9-carbaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.089543280 u
Formula C17H13NO3
InChI InChI=1S/C17H13NO3/c19-10-17-8-7-12(13-3-1-2-4-15(13)17)14-9-11(18(20)21)5-6-16(14)17/h1-6,9-10,12H,7-8H2
InChIKey ZYAPQXFTRSQGLZ-UHFFFAOYSA-N
Molecular Weight 279.295 g/mol
SMILES C12(C=3C(=CC(N(=O)=O)=CC3)C(CC1)C1=C2C=CC=C1)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848088