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3-Chloro-1,2-dihydro-1,1,2,2-tetramethylcyclobuta[e]phenanthrene

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

3-Chloro-1,2-dihydro-1,1,2,2-tetramethylcyclobuta[e]phenanthrene
SpectraBase Compound ID Fp2Q9fiU8hu
InChI InChI=1S/C20H19Cl/c1-19(2)17-14-9-6-5-8-12(14)13-10-7-11-15(21)16(13)18(17)20(19,3)4/h5-11H,1-4H3
InChIKey YUXVXFKKILAFBG-UHFFFAOYSA-N
Mol Weight 294.82 g/mol
Molecular Formula C20H19Cl
Exact Mass 294.117528 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9O8HA89en7J
Name 3-Chloro-1,2-dihydro-1,1,2,2-tetramethylcyclobuta[E]phenanthrene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.117528312 u
Formula C20H19Cl
InChI InChI=1S/C20H19Cl/c1-19(2)17-14-9-6-5-8-12(14)13-10-7-11-15(21)16(13)18(17)20(19,3)4/h5-11H,1-4H3
InChIKey YUXVXFKKILAFBG-UHFFFAOYSA-N
SMILES C1=2C(C)(C)C(C2C2=CC=CC=C2C=2C1=C(Cl)C=CC2)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863345