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8,9,11-Trimethylbenz(A)anthracene

View entire compound with spectra: 1 FTIR

8,9,11-Trimethylbenz(A)anthracene
SpectraBase Compound ID KnvKaqfueav
InChI InChI=1S/C21H18/c1-13-10-14(2)19-12-21-17(11-20(19)15(13)3)9-8-16-6-4-5-7-18(16)21/h4-12H,1-3H3
InChIKey VJKSAUFLZCAJLK-UHFFFAOYSA-N
Mol Weight 270.37 g/mol
Molecular Formula C21H18
Exact Mass 270.140851 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5SKnnpY0wwS
Name 8,9,11-Trimethylbenz(A)anthracene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.140850580 u
Formula C21H18
InChI InChI=1S/C21H18/c1-13-10-14(2)19-12-21-17(11-20(19)15(13)3)9-8-16-6-4-5-7-18(16)21/h4-12H,1-3H3
InChIKey VJKSAUFLZCAJLK-UHFFFAOYSA-N
Molecular Weight 270.375 g/mol
SMILES C1(=CC(=C(C2=C1C=C1C(=C2)C=CC2=C1C=CC=C2)C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888551