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2H-1,4-Benzoxazine-2,3(4H)-dione, 4-[(3,4-dimethoxyphenyl)methyl]-
SpectraBase Compound ID CsYYdsdJIiY
InChI InChI=1S/C17H15NO5/c1-21-14-8-7-11(9-15(14)22-2)10-18-12-5-3-4-6-13(12)23-17(20)16(18)19/h3-9H,10H2,1-2H3
InChIKey HPCYHVPQMGXQJO-UHFFFAOYSA-N
Mol Weight 313.31 g/mol
Molecular Formula C17H15NO5
Exact Mass 313.095023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 17l7aCbYcYH
Name 2H-1,4-Benzoxazine-2,3(4H)-dione, 4-[(3,4-dimethoxyphenyl)methyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.095022582 u
Formula C17H15NO5
InChI InChI=1S/C17H15NO5/c1-21-14-8-7-11(9-15(14)22-2)10-18-12-5-3-4-6-13(12)23-17(20)16(18)19/h3-9H,10H2,1-2H3
InChIKey HPCYHVPQMGXQJO-UHFFFAOYSA-N
Molecular Weight 313.309 g/mol
SMILES C1=CC=C2C(=C1)N(C(C(O2)=O)=O)CC=1C=C(OC)C(OC)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.819825