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4-Phenanthrene-2,3-dicarboxylic anhydride

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

4-Phenanthrene-2,3-dicarboxylic anhydride
SpectraBase Compound ID GWF35mtGEao
InChI InChI=1S/C22H12O3/c23-21-17-12-15-11-10-13-6-4-5-9-16(13)18(15)19(20(17)22(24)25-21)14-7-2-1-3-8-14/h1-12H
InChIKey MHBYLJVFZFKSSB-UHFFFAOYSA-N
Mol Weight 324.34 g/mol
Molecular Formula C22H12O3
Exact Mass 324.078644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2ZgOFjCcRPw
Name 4-Phenanthrene-2,3-dicarboxylic anhydride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.078644243 u
Formula C22H12O3
InChI InChI=1S/C22H12O3/c23-21-17-12-15-11-10-13-6-4-5-9-16(13)18(15)19(20(17)22(24)25-21)14-7-2-1-3-8-14/h1-12H
InChIKey MHBYLJVFZFKSSB-UHFFFAOYSA-N
Molecular Weight 324.335 g/mol
SMILES C=12C(OC(C2=CC=2C(C1C1=CC=CC=C1)=C1C(=CC2)C=CC=C1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957349