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9,10-Dihydrocyclohepta[a]phenalen-7(8H)-one

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

9,10-Dihydrocyclohepta[a]phenalen-7(8H)-one
SpectraBase Compound ID Goc0w7f7XT0
InChI InChI=1S/C18H14O/c19-18-15-9-3-1-2-8-13(15)14-10-4-6-12-7-5-11-16(18)17(12)14/h2,4-8,10-11H,1,3,9H2
InChIKey ZXVANNMPZCVBNJ-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C18H14O
Exact Mass 246.104465 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GRzz14B9ok6
Name 9,10-Dihydrocyclohepta[A]phenalen-7(8H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.104465070 u
Formula C18H14O
InChI InChI=1S/C18H14O/c19-18-15-9-3-1-2-8-13(15)14-10-4-6-12-7-5-11-16(18)17(12)14/h2,4-8,10-11H,1,3,9H2
InChIKey ZXVANNMPZCVBNJ-UHFFFAOYSA-N
Molecular Weight 246.309 g/mol
SMILES C12=C(C(=O)C3=C4C2=CC=CC4=CC=C3)CCCC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911313