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3,4,5,6,7,8,9,10-Octahydrocyclobuta[l]phenanthren-1,2-dione

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3,4,5,6,7,8,9,10-Octahydrocyclobuta[l]phenanthren-1,2-dione
SpectraBase Compound ID 4nG4SL7s7Z2
InChI InChI=1S/C16H16O2/c17-15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16(15)18/h1-8H2
InChIKey GAOAYBGJEOKOLD-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C16H16O2
Exact Mass 240.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GSllx2M3qYs
Name 3,4,5,6,7,8,9,10-Octahydrocyclobuta[L]phenanthren-1,2-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.115029753 u
Formula C16H16O2
InChI InChI=1S/C16H16O2/c17-15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16(15)18/h1-8H2
InChIKey GAOAYBGJEOKOLD-UHFFFAOYSA-N
Molecular Weight 240.302 g/mol
SMILES C1CCCC=2C=3CCCCC3C3=C(C12)C(C3=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.844241