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Trans-p-coumaric acid, o-methoxycarbonyl-

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Trans-p-coumaric acid, o-methoxycarbonyl-
SpectraBase Compound ID AwCRc8qF8yR
InChI InChI=1S/C11H10O5/c1-15-11(14)16-9-5-2-8(3-6-9)4-7-10(12)13/h2-7H,1H3,(H,12,13)/b7-4+
InChIKey FRCBIGORYIEXMN-QPJJXVBHSA-N
Mol Weight 222.2 g/mol
Molecular Formula C11H10O5
Exact Mass 222.052823 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8EKtW0tc5SS
Name Trans-p-coumaric acid, o-methoxycarbonyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.052823417 u
Formula C11H10O5
InChI InChI=1S/C11H10O5/c1-15-11(14)16-9-5-2-8(3-6-9)4-7-10(12)13/h2-7H,1H3,(H,12,13)/b7-4+
InChIKey FRCBIGORYIEXMN-QPJJXVBHSA-N
Molecular Weight 222.196 g/mol
SMILES C(\C=C\C1=CC=C(C=C1)OC(OC)=O)(O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981277