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Methyl 6-hydroxy-6-phenylhex-2-ynoate

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

Methyl 6-hydroxy-6-phenylhex-2-ynoate
SpectraBase Compound ID 84dSAVTY5Hq
InChI InChI=1S/C13H14O3/c1-16-13(15)10-6-5-9-12(14)11-7-3-2-4-8-11/h2-4,7-8,12,14H,5,9H2,1H3
InChIKey ADVMSCCTDDRDOC-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID u0BlJKFg5v
Name Methyl 6-hydroxy-6-phenylhex-2-ynoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.094294308 u
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-16-13(15)10-6-5-9-12(14)11-7-3-2-4-8-11/h2-4,7-8,12,14H,5,9H2,1H3
InChIKey ADVMSCCTDDRDOC-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES C(#CCCC(C1=CC=CC=C1)O)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907746