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2-[(cyclopropylmethyl)thio]-5-(3,4-dichlorobenzyl)-6-4(3H)-pyrimidinone

View entire compound with spectra: 2 NMR, and 1 FTIR

2-[(cyclopropylmethyl)thio]-5-(3,4-dichlorobenzyl)-6-4(3H)-pyrimidinone
SpectraBase Compound ID 79k5vv9pAwd
InChI InChI=1S/C16H16Cl2N2OS/c1-9-12(6-11-4-5-13(17)14(18)7-11)15(21)20-16(19-9)22-8-10-2-3-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,19,20,21)
InChIKey JNUJUJGJPADNAM-UHFFFAOYSA-N
Mol Weight 355.28 g/mol
Molecular Formula C16H16Cl2N2OS
Exact Mass 354.03604 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BXpQnprECb1
Name 2-[(Cyclopropylmethyl)thio]-5-(3,4-dichlorobenzyl)-6-4(3H)-pyrimidinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.036039716 u
Formula C16H16Cl2N2OS
InChI InChI=1S/C16H16Cl2N2OS/c1-9-12(6-11-4-5-13(17)14(18)7-11)15(21)20-16(19-9)22-8-10-2-3-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,19,20,21)
InChIKey JNUJUJGJPADNAM-UHFFFAOYSA-N
Molecular Weight 355.283 g/mol
SMILES OC=1N=C(N=C(C1CC=1C=CC(=C(C1)Cl)Cl)C)SCC1CC1