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2-[(p-Fluorobenzoyl)methylene]hexahydropyrimidine

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

2-[(p-Fluorobenzoyl)methylene]hexahydropyrimidine
SpectraBase Compound ID 6ewMznGPAsQ
InChI InChI=1S/C12H13FN2O/c13-10-4-2-9(3-5-10)11(16)8-12-14-6-1-7-15-12/h2-5,8,14-15H,1,6-7H2
InChIKey ANWMBAZLMRYIGW-UHFFFAOYSA-N
Mol Weight 220.25 g/mol
Molecular Formula C12H13FN2O
Exact Mass 220.101191 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CRnvx5J8Epo
Name 2-[(p-Fluorobenzoyl)methylene]hexahydropyrimidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.101191209 u
Formula C12H13FN2O
InChI InChI=1S/C12H13FN2O/c13-10-4-2-9(3-5-10)11(16)8-12-14-6-1-7-15-12/h2-5,8,14-15H,1,6-7H2
InChIKey ANWMBAZLMRYIGW-UHFFFAOYSA-N
Molecular Weight 220.247 g/mol
SMILES C1(NCCCN1)=CC(C=1C=CC(=CC1)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867559