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Salicylic acid, 3-methoxy-, o-(N-propyloxycarbonyl)-, methyl ester

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Salicylic acid, 3-methoxy-, o-(N-propyloxycarbonyl)-, methyl ester
SpectraBase Compound ID BUaHFTQ1k20
InChI InChI=1S/C13H16O6/c1-4-8-18-13(15)19-11-9(12(14)17-3)6-5-7-10(11)16-2/h5-7H,4,8H2,1-3H3
InChIKey REKKNKVNYCMUAD-UHFFFAOYSA-N
Mol Weight 268.26 g/mol
Molecular Formula C13H16O6
Exact Mass 268.094688 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K3ZQi2cjYuo
Name Salicylic acid, 3-methoxy-, o-(N-propyloxycarbonyl)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.094688229 u
Formula C13H16O6
InChI InChI=1S/C13H16O6/c1-4-8-18-13(15)19-11-9(12(14)17-3)6-5-7-10(11)16-2/h5-7H,4,8H2,1-3H3
InChIKey REKKNKVNYCMUAD-UHFFFAOYSA-N
SMILES C1=CC(=C(C(=C1)C(OC)=O)OC(OCCC)=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.824088