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4H-Cyclopenta[def]chrysen-1,2-one

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

4H-Cyclopenta[def]chrysen-1,2-one
SpectraBase Compound ID 1gO3UUJruq0
InChI InChI=1S/C19H10O2/c20-16-9-12-8-11-7-10-3-1-2-4-13(10)14-5-6-15(19(16)21)18(12)17(11)14/h1-7,9H,8H2
InChIKey YBWBOGJYPCEHGU-UHFFFAOYSA-N
Mol Weight 270.29 g/mol
Molecular Formula C19H10O2
Exact Mass 270.06808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID eYfa1n8xBT
Name 4H-Cyclopenta[def]chrysen-1,2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.068079560 u
Formula C19H10O2
InChI InChI=1S/C19H10O2/c20-16-9-12-8-11-7-10-3-1-2-4-13(10)14-5-6-15(19(16)21)18(12)17(11)14/h1-7,9H,8H2
InChIKey YBWBOGJYPCEHGU-UHFFFAOYSA-N
SMILES C1=2C3=CC(C(C2C=CC=2C1=C(C=C1C=CC=CC21)C3)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.891082