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4-(2-Chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SpectraBase Compound ID J9OD6AqhLHm
InChI InChI=1S/C14H13ClN2O2/c15-9-5-2-1-4-8(9)13-12-10(16-14(19)17-13)6-3-7-11(12)18/h1-2,4-5,13H,3,6-7H2,(H2,16,17,19)
InChIKey PBGRVHDYNFGNCB-UHFFFAOYSA-N
Mol Weight 276.72 g/mol
Molecular Formula C14H13ClN2O2
Exact Mass 276.066555 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AZQUOzhhMIs
Name 4-(2-Chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.066555365 u
Formula C14H13ClN2O2
InChI InChI=1S/C14H13ClN2O2/c15-9-5-2-1-4-8(9)13-12-10(16-14(19)17-13)6-3-7-11(12)18/h1-2,4-5,13H,3,6-7H2,(H2,16,17,19)
InChIKey PBGRVHDYNFGNCB-UHFFFAOYSA-N
SMILES C1=2C(NC(NC2CCCC1=O)=O)C1=C(Cl)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.825247