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2H-1,4-Benzoxazine-4-acetamide, N-(1,3-benzodioxol-5-yl)-6-chloro-3,4-dihydro-3-oxo-
SpectraBase Compound ID 27wvqd6jjuA
InChI InChI=1S/C17H13ClN2O5/c18-10-1-3-13-12(5-10)20(17(22)8-23-13)7-16(21)19-11-2-4-14-15(6-11)25-9-24-14/h1-6H,7-9H2,(H,19,21)
InChIKey XZIPSYWDMKZOTP-UHFFFAOYSA-N
Mol Weight 360.75 g/mol
Molecular Formula C17H13ClN2O5
Exact Mass 360.051299 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6SWLmR7m4sy
Name 2H-1,4-Benzoxazine-4-acetamide, N-(1,3-benzodioxol-5-yl)-6-chloro-3,4-dihydro-3-oxo-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.051299222 u
Formula C17H13ClN2O5
InChI InChI=1S/C17H13ClN2O5/c18-10-1-3-13-12(5-10)20(17(22)8-23-13)7-16(21)19-11-2-4-14-15(6-11)25-9-24-14/h1-6H,7-9H2,(H,19,21)
InChIKey XZIPSYWDMKZOTP-UHFFFAOYSA-N
Molecular Weight 360.753 g/mol
SMILES C1=C(C=C2N(C(COC2=C1)=O)CC(NC=1C=CC=2OCOC2C1)=O)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945705