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(E)-5-Chloro-1-(2'-butenyl)-2(1H)-pyrimidinone

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

(E)-5-Chloro-1-(2'-butenyl)-2(1H)-pyrimidinone
SpectraBase Compound ID 8giQKu0rVMT
InChI InChI=1S/C8H9ClN2O/c1-2-3-4-11-6-7(9)5-10-8(11)12/h2-3,5-6H,4H2,1H3/b3-2+
InChIKey BZMBOAQAROCVSW-NSCUHMNNSA-N
Mol Weight 184.63 g/mol
Molecular Formula C8H9ClN2O
Exact Mass 184.040341 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5SKgrfQslyF
Name (E)-5-Chloro-1-(2'-butenyl)-2(1H)-pyrimidinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 184.040340617 u
Formula C8H9ClN2O
InChI InChI=1S/C8H9ClN2O/c1-2-3-4-11-6-7(9)5-10-8(11)12/h2-3,5-6H,4H2,1H3/b3-2+
InChIKey BZMBOAQAROCVSW-NSCUHMNNSA-N
Molecular Weight 184.626 g/mol
SMILES C1(N(C=C(C=N1)Cl)C\C=C\C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940443