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4-Acetyl-3,4-dihydro-2H-1,4-benzoxazin-2-ylmethylacetate

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

4-Acetyl-3,4-dihydro-2H-1,4-benzoxazin-2-ylmethylacetate
SpectraBase Compound ID INeFKukjYTs
InChI InChI=1S/C13H15NO4/c1-9(15)14-7-11(8-17-10(2)16)18-13-6-4-3-5-12(13)14/h3-6,11H,7-8H2,1-2H3
InChIKey LLTBQZQXIRKKFV-UHFFFAOYSA-N
Mol Weight 249.27 g/mol
Molecular Formula C13H15NO4
Exact Mass 249.100108 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2qksSAFgyzP
Name 4-Acetyl-3,4-dihydro-2H-1,4-benzoxazin-2-ylmethylacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.100107963 u
Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c1-9(15)14-7-11(8-17-10(2)16)18-13-6-4-3-5-12(13)14/h3-6,11H,7-8H2,1-2H3
InChIKey LLTBQZQXIRKKFV-UHFFFAOYSA-N
Molecular Weight 249.266 g/mol
SMILES C1=2OC(CN(C1=CC=CC2)C(C)=O)COC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937617