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1-(2-Chloroethyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hexYtgbIrV
Name 1-(2-Chloroethyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
Alternate Name(s) 1-(2-Chloroethyl)-5-methyl-pyrimidine-2,4-dione 1-(2-Chloroethyl)-5-methyl-pyrimidine-2,4-quinone 2,4(1H,3H)-Pyrimidinedione, 1-(2-chloroethyl)-5-methyl-
CAS Registry Number 22441-52-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 N1C(C(=CN(C1=O)CCCl)C)=O
SPLASH splash10-0ue9-9500000000-3c021b29a5e3274e0370
Wiley ID 1487366