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1,3-Bis(4-pyridylmethyl)urea monohydrate

View entire compound with spectra: 2 NMR

1,3-Bis(4-pyridylmethyl)urea monohydrate
SpectraBase Compound ID 2MapZsJVk55
InChI InChI=1S/C13H14N4O.O/c18-13(16-9-11-1-5-14-6-2-11)17-10-12-3-7-15-8-4-12;/h1-8H,9-10H2,(H2,16,17,18);
InChIKey PMSGTMFIBNBIRH-UHFFFAOYSA-N
Mol Weight 258.28 g/mol
Molecular Formula C13H14N4O2
Exact Mass 258.111676 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EAWGT7rPAkW
Name 1,3-Bis(4-pyridylmethyl)urea monohydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 344745
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N4O2
InChI InChI=1S/C13H14N4O.O/c18-13(16-9-11-1-5-14-6-2-11)17-10-12-3-7-15-8-4-12;/h1-8H,9-10H2,(H2,16,17,18);
InChIKey PMSGTMFIBNBIRH-UHFFFAOYSA-N
Molecular Weight 258.281 g/mol
Observed nucleus 13C
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_013877