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4a,5a,-[2]Buteno-1,4,9,10-anthraceneterone

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4a,5a,-[2]Buteno-1,4,9,10-anthraceneterone
SpectraBase Compound ID 4EOtrWDNsCT
InChI InChI=1S/C18H12O4/c19-13-7-8-14(20)18-10-4-3-9-17(13,18)15(21)11-5-1-2-6-12(11)16(18)22/h1-8H,9-10H2
InChIKey DPBKTDDOGASAJQ-UHFFFAOYSA-N
Mol Weight 292.29 g/mol
Molecular Formula C18H12O4
Exact Mass 292.073559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JhzaB3UOQaU
Name 4A,5A,-[2]Buteno-1,4,9,10-anthraceneterone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.073558862 u
Formula C18H12O4
InChI InChI=1S/C18H12O4/c19-13-7-8-14(20)18-10-4-3-9-17(13,18)15(21)11-5-1-2-6-12(11)16(18)22/h1-8H,9-10H2
InChIKey DPBKTDDOGASAJQ-UHFFFAOYSA-N
SMILES C1(=O)C23C(C(=O)C4=C1C=CC=C4)(C(=O)C=CC2=O)CC=CC3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952933