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pma-2

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

pma-2
SpectraBase Compound ID JE3WSaE4iCz
InChI InChI=1S/C20H18O6/c1-25-19(23)9-5-13-3-7-15(17(21)11-13)16-8-4-14(12-18(16)22)6-10-20(24)26-2/h3-12,21-22H,1-2H3/b9-5+,10-6+
InChIKey WEKGDYWBUDKJSF-NXZHAISVSA-N
Mol Weight 354.36 g/mol
Molecular Formula C20H18O6
Exact Mass 354.110338 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9Jp6OYeSDPC
Name pma-2
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.110338294 u
Formula C20H18O6
InChI InChI=1S/C20H18O6/c1-25-19(23)9-5-13-3-7-15(17(21)11-13)16-8-4-14(12-18(16)22)6-10-20(24)26-2/h3-12,21-22H,1-2H3/b9-5+,10-6+
InChIKey WEKGDYWBUDKJSF-NXZHAISVSA-N
Molecular Weight 354.358 g/mol
SMILES C1(C=2C(=CC(\C=C\C(=O)OC)=CC2)O)=C(C=C(\C=C\C(=O)OC)C=C1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933438