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2H-Indeno[1,2-d]pyrimidin-2-one, 1,3,4,5-tetrahydro-4-(2-pyridinyl)-
SpectraBase Compound ID CsfjDQjtfiC
InChI InChI=1S/C16H13N3O/c20-16-18-14-11-6-2-1-5-10(11)9-12(14)15(19-16)13-7-3-4-8-17-13/h1-8,15H,9H2,(H2,18,19,20)
InChIKey XEAMRTHIQLMITC-UHFFFAOYSA-N
Mol Weight 263.3 g/mol
Molecular Formula C16H13N3O
Exact Mass 263.105862 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L91NyvNx5aF
Name 2H-Indeno[1,2-D]pyrimidin-2-one, 1,3,4,5-tetrahydro-4-(2-pyridinyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.105862050 u
Formula C16H13N3O
InChI InChI=1S/C16H13N3O/c20-16-18-14-11-6-2-1-5-10(11)9-12(14)15(19-16)13-7-3-4-8-17-13/h1-8,15H,9H2,(H2,18,19,20)
InChIKey XEAMRTHIQLMITC-UHFFFAOYSA-N
Molecular Weight 263.300 g/mol
SMILES C1=C(N=CC=C1)C1C2=C(NC(N1)=O)C1=C(C=CC=C1)C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921942