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4,5,8,9,10,10A,11,12-Octahydrobenz[J]acephenanthrylene

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

4,5,8,9,10,10A,11,12-Octahydrobenz[J]acephenanthrylene
SpectraBase Compound ID 8KvNbhGoNCX
InChI InChI=1S/C20H20/c1-2-6-16-13(4-1)10-11-17-18-7-3-5-14-8-9-15(20(14)18)12-19(16)17/h3,5-7,12-13H,1-2,4,8-11H2
InChIKey CKWBPFLXCMGJMN-UHFFFAOYSA-N
Mol Weight 260.38 g/mol
Molecular Formula C20H20
Exact Mass 260.156501 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7lABiGnlLl4
Name 4,5,8,9,10,10A,11,12-Octahydrobenz[J]acephenanthrylene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.156500644 u
Formula C20H20
InChI InChI=1S/C20H20/c1-2-6-16-13(4-1)10-11-17-18-7-3-5-14-8-9-15(20(14)18)12-19(16)17/h3,5-7,12-13H,1-2,4,8-11H2
InChIKey CKWBPFLXCMGJMN-UHFFFAOYSA-N
Molecular Weight 260.380 g/mol
SMILES C12=C(C3=CC=CC4=C3C(=C2)CC4)CCC2C1=CCCC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.830627