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4,5-Methanochrysene

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

4,5-Methanochrysene
SpectraBase Compound ID 6GCCC7FKCP2
InChI InChI=1S/C19H12/c1-2-7-16-13(4-1)10-15-11-14-6-3-5-12-8-9-17(16)19(15)18(12)14/h1-10H,11H2
InChIKey GTDQLJVKXFXBMM-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C19H12
Exact Mass 240.0939 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8iwHobQhzlV
Name 4,5-Methanochrysene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.093900386 u
Formula C19H12
InChI InChI=1S/C19H12/c1-2-7-16-13(4-1)10-15-11-14-6-3-5-12-8-9-17(16)19(15)18(12)14/h1-10H,11H2
InChIKey GTDQLJVKXFXBMM-UHFFFAOYSA-N
Molecular Weight 240.305 g/mol
SMILES C1=2C3=C4C=CC=CC4=CC2CC2=C1C(C=C3)=CC=C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923743