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3-(2-Chloroethyl)-2,4(1H,3H)-quinazolinedione

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 MS (GC)

3-(2-Chloroethyl)-2,4(1H,3H)-quinazolinedione
SpectraBase Compound ID 5xyB3dfc4qd
InChI InChI=1S/C10H9ClN2O2/c11-5-6-13-9(14)7-3-1-2-4-8(7)12-10(13)15/h1-4H,5-6H2,(H,12,15)
InChIKey HWFSVCPXNLEACG-UHFFFAOYSA-N
Mol Weight 224.65 g/mol
Molecular Formula C10H9ClN2O2
Exact Mass 224.035255 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EAubKICqyu6
Name 3-(2-Chloroethyl)-2,4(1H,3H)-quinazolinedione
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 427705
CAS Registry Number 5081-87-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9ClN2O2
InChI InChI=1S/C10H9ClN2O2/c11-5-6-13-9(14)7-3-1-2-4-8(7)12-10(13)15/h1-4H,5-6H2,(H,12,15)
InChIKey HWFSVCPXNLEACG-UHFFFAOYSA-N
Observed nucleus 1H
Purity 99%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_009401