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1-m-Tolyl-2,3-dimethoxycarbonyl-naphthalene

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

1-m-Tolyl-2,3-dimethoxycarbonyl-naphthalene
SpectraBase Compound ID L0StWj8tsHN
InChI InChI=1S/C21H18O4/c1-13-7-6-9-15(11-13)18-16-10-5-4-8-14(16)12-17(20(22)24-2)19(18)21(23)25-3/h4-12H,1-3H3
InChIKey YHIKQXNTPKDLHE-UHFFFAOYSA-N
Mol Weight 334.37 g/mol
Molecular Formula C21H18O4
Exact Mass 334.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GMMmONqFUVn
Name 1-m-Tolyl-2,3-dimethoxycarbonyl-naphthalene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.120509056 u
Formula C21H18O4
InChI InChI=1S/C21H18O4/c1-13-7-6-9-15(11-13)18-16-10-5-4-8-14(16)12-17(20(22)24-2)19(18)21(23)25-3/h4-12H,1-3H3
InChIKey YHIKQXNTPKDLHE-UHFFFAOYSA-N
Molecular Weight 334.371 g/mol
SMILES C1=CC=CC2=C1C(=C(C(=C2)C(OC)=O)C(OC)=O)C1=CC(=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826193