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2,4(1H,3H)-Pyrimidinedione, 1-(2-chloroethyl)-5-methyl-

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2,4(1H,3H)-Pyrimidinedione, 1-(2-chloroethyl)-5-methyl-
SpectraBase Compound ID 5oooBgXoEKv
InChI InChI=1S/C7H9ClN2O2/c1-5-4-10(3-2-8)7(12)9-6(5)11/h4H,2-3H2,1H3,(H,9,11,12)
InChIKey PSDBGGPPNYFUIC-UHFFFAOYSA-N
Mol Weight 188.61 g/mol
Molecular Formula C7H9ClN2O2
Exact Mass 188.035255 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4BVsg3q8S6k
Name 2,4(1H,3H)-Pyrimidinedione, 1-(2-chloroethyl)-5-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.035255236 u
Formula C7H9ClN2O2
InChI InChI=1S/C7H9ClN2O2/c1-5-4-10(3-2-8)7(12)9-6(5)11/h4H,2-3H2,1H3,(H,9,11,12)
InChIKey PSDBGGPPNYFUIC-UHFFFAOYSA-N
Molecular Weight 188.614 g/mol
SMILES C1(=O)NC(=O)N(CCCl)C=C1C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943806