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3-(2-Ethenyl-1,3-dioxan-2-yl)-2-propynoic acid methyl ester

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

3-(2-Ethenyl-1,3-dioxan-2-yl)-2-propynoic acid methyl ester
SpectraBase Compound ID I72LB76no4r
InChI InChI=1S/C10H12O4/c1-3-10(6-5-9(11)12-2)13-7-4-8-14-10/h3H,1,4,7-8H2,2H3
InChIKey BYOCBIBFYWPGPV-UHFFFAOYSA-N
Mol Weight 196.2 g/mol
Molecular Formula C10H12O4
Exact Mass 196.073559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JMrnvUQXMSi
Name 3-(2-Ethenyl-1,3-dioxan-2-yl)-2-propynoic acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.073558862 u
Formula C10H12O4
InChI InChI=1S/C10H12O4/c1-3-10(6-5-9(11)12-2)13-7-4-8-14-10/h3H,1,4,7-8H2,2H3
InChIKey BYOCBIBFYWPGPV-UHFFFAOYSA-N
Molecular Weight 196.202 g/mol
SMILES C1(C#CC(=O)OC)(OCCCO1)C=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.857852