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Benzoic acid, 4-(4-methoxyphenoxy)-, 2-propynyl ester

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

Benzoic acid, 4-(4-methoxyphenoxy)-, 2-propynyl ester
SpectraBase Compound ID Dh19rn4HM1u
InChI InChI=1S/C17H14O4/c1-3-12-20-17(18)13-4-6-15(7-5-13)21-16-10-8-14(19-2)9-11-16/h1,4-11H,12H2,2H3
InChIKey YFPRHNIXSDTOMS-UHFFFAOYSA-N
Mol Weight 282.3 g/mol
Molecular Formula C17H14O4
Exact Mass 282.089209 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 3JZCaF69znN
Name Benzoic acid, 4-(4-methoxyphenoxy)-, 2-propynyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.089208927 u
Formula C17H14O4
InChI InChI=1S/C17H14O4/c1-3-12-20-17(18)13-4-6-15(7-5-13)21-16-10-8-14(19-2)9-11-16/h1,4-11H,12H2,2H3
InChIKey YFPRHNIXSDTOMS-UHFFFAOYSA-N
SMILES C1(=CC=C(C=C1)OC)OC1=CC=C(C=C1)C(OCC#C)=O
Spectrum/Structure Validation Score (Raman) 0.972868