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2,3,4,6-tetramethoxy-5H-benzocyclohepten-5-one

View entire compound with spectra: 5 NMR, 3 FTIR, and 1 Raman

2,3,4,6-tetramethoxy-5H-benzocyclohepten-5-one
SpectraBase Compound ID 22SnMQU6Ep6
InChI InChI=1S/C15H16O5/c1-17-10-7-5-6-9-8-11(18-2)14(19-3)15(20-4)12(9)13(10)16/h5-8H,1-4H3
InChIKey ZEEDZJJOWWIIFH-UHFFFAOYSA-N
Mol Weight 276.29 g/mol
Molecular Formula C15H16O5
Exact Mass 276.099774 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID HgUFO6ZK8W5
Name 2,3,4,6-Tetramethoxy-5H-benzocyclohepten-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.099773610 u
Formula C15H16O5
InChI InChI=1S/C15H16O5/c1-17-10-7-5-6-9-8-11(18-2)14(19-3)15(20-4)12(9)13(10)16/h5-8H,1-4H3
InChIKey ZEEDZJJOWWIIFH-UHFFFAOYSA-N
Molecular Weight 276.288 g/mol
SMILES C=1C(=C(C(=C2C(C(=CC=CC12)OC)=O)OC)OC)OC
Spectrum/Structure Validation Score (Raman) 0.85655