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.beta.-Apolignan

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

.beta.-Apolignan
SpectraBase Compound ID DNm3fSLvrPx
InChI InChI=1S/C18H14O2/c19-18-17-14(11-20-18)10-13-8-4-5-9-15(13)16(17)12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKey GKUVCBWRNYPZJZ-UHFFFAOYSA-N
Mol Weight 262.31 g/mol
Molecular Formula C18H14O2
Exact Mass 262.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5TRlvs9hW2E
Name .beta.-Apolignan
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.099379689 u
Formula C18H14O2
InChI InChI=1S/C18H14O2/c19-18-17-14(11-20-18)10-13-8-4-5-9-15(13)16(17)12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKey GKUVCBWRNYPZJZ-UHFFFAOYSA-N
Molecular Weight 262.308 g/mol
SMILES C12=C(CC=3C(C2C2=CC=CC=C2)=CC=CC3)COC1=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.800222