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3-[(2-Naphthyl)thio]propionic aicd, methyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

3-[(2-Naphthyl)thio]propionic aicd, methyl ester
SpectraBase Compound ID DeJSXdWOmxN
InChI InChI=1S/C14H14O2S/c1-16-14(15)8-9-17-13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10H,8-9H2,1H3
InChIKey ZFZOKTRSWLEUEI-UHFFFAOYSA-N
Mol Weight 246.32 g/mol
Molecular Formula C14H14O2S
Exact Mass 246.071451 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 4Ua6tk55eYe
Name 3-[(2-Naphthyl)thio]propionic aicd, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.071450863 u
Formula C14H14O2S
InChI InChI=1S/C14H14O2S/c1-16-14(15)8-9-17-13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10H,8-9H2,1H3
InChIKey ZFZOKTRSWLEUEI-UHFFFAOYSA-N
Molecular Weight 246.324 g/mol
SMILES C=12C=CC=CC1C=CC(=C2)SCCC(=O)OC
Spectrum/Structure Validation Score (Raman) 0.834686