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[2S]-(+)-2-(3,4,5-trimethoxyphenyl)-3-(4-methoxyphenyloxy)propanoic acid

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

[2S]-(+)-2-(3,4,5-trimethoxyphenyl)-3-(4-methoxyphenyloxy)propanoic acid
SpectraBase Compound ID 5ur0dCTyo8T
InChI InChI=1S/C19H22O7/c1-22-13-5-7-14(8-6-13)26-11-15(19(20)21)12-9-16(23-2)18(25-4)17(10-12)24-3/h5-10,15H,11H2,1-4H3,(H,20,21)/t15-/m1/s1
InChIKey DIINAMFCGGCFPQ-OAHLLOKOSA-N
Mol Weight 362.38 g/mol
Molecular Formula C19H22O7
Exact Mass 362.136553 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ET64nG9JR8q
Name [2S]-(+)-2-(3,4,5-trimethoxyphenyl)-3-(4-methoxyphenyloxy)propanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.136553041 u
Formula C19H22O7
InChI InChI=1S/C19H22O7/c1-22-13-5-7-14(8-6-13)26-11-15(19(20)21)12-9-16(23-2)18(25-4)17(10-12)24-3/h5-10,15H,11H2,1-4H3,(H,20,21)/t15-/m1/s1
InChIKey DIINAMFCGGCFPQ-OAHLLOKOSA-N
Molecular Weight 362.378 g/mol
SMILES C=1([C@](C(=O)O)(COC2=CC=C(C=C2)OC)[H])C=C(OC)C(=C(C1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961332