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4-(4-Acetoxy-3-methoxybenzylidene)-2-methyloxazol-5(4H)-one

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

4-(4-Acetoxy-3-methoxybenzylidene)-2-methyloxazol-5(4H)-one
SpectraBase Compound ID DScIP6AqYHR
InChI InChI=1S/C14H13NO5/c1-8-15-11(14(17)19-8)6-10-4-5-12(20-9(2)16)13(7-10)18-3/h4-7H,1-3H3/b11-6+
InChIKey VRLBAMQNHIJOSI-IZZDOVSWSA-N
Mol Weight 275.26 g/mol
Molecular Formula C14H13NO5
Exact Mass 275.079373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4mmuolRK9JX
Name 4-(4-Acetoxy-3-methoxybenzylidene)-2-methyloxazol-5(4H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.079372518 u
Formula C14H13NO5
InChI InChI=1S/C14H13NO5/c1-8-15-11(14(17)19-8)6-10-4-5-12(20-9(2)16)13(7-10)18-3/h4-7H,1-3H3/b11-6+
InChIKey VRLBAMQNHIJOSI-IZZDOVSWSA-N
SMILES C1(=N\C(C(O1)=O)=C/C=1C=C(OC)C(=CC1)OC(=O)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822839