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3-Methoxy-2,4-dimethoxycarbonyl-5-(phenyl)phenol
SpectraBase Compound ID 3Tj1FVfYgju
InChI InChI=1S/C17H16O6/c1-21-15-13(16(19)22-2)11(10-7-5-4-6-8-10)9-12(18)14(15)17(20)23-3/h4-9,18H,1-3H3
InChIKey INJDYWJSKXRZMN-UHFFFAOYSA-N
Mol Weight 316.31 g/mol
Molecular Formula C17H16O6
Exact Mass 316.094688 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID APMWdbc8XuG
Name 3-Methoxy-2,4-dimethoxycarbonyl-5-(phenyl)phenol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.094688229 u
Formula C17H16O6
InChI InChI=1S/C17H16O6/c1-21-15-13(16(19)22-2)11(10-7-5-4-6-8-10)9-12(18)14(15)17(20)23-3/h4-9,18H,1-3H3
InChIKey INJDYWJSKXRZMN-UHFFFAOYSA-N
Molecular Weight 316.309 g/mol
SMILES C=1(C(=C(C(=C(C1)C=1C=CC=CC1)C(=O)OC)OC)C(=O)OC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.815655