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3-Phenylenanthic acid methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

3-Phenylenanthic acid methyl ester
SpectraBase Compound ID 4tSU6LETLCI
InChI InChI=1S/C14H20O2/c1-3-4-8-13(11-14(15)16-2)12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3
InChIKey XPDDRXJDEIRDJY-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3eyIV4V6xMG
Name 3-Phenylenanthic acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.146329882 u
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-3-4-8-13(11-14(15)16-2)12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3
InChIKey XPDDRXJDEIRDJY-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES C(CC(C=1C=CC=CC1)CCCC)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923797