For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldithio)-1-buten-1-yl]-, tms
SpectraBase Compound ID 445bG0HRudu
InChI InChI=1S/C18H32N4O2S2Si/c1-7-10-25-26-17(8-9-24-27(4,5)6)14(2)22(13-23)12-16-11-20-15(3)21-18(16)19/h11,13H,7-10,12H2,1-6H3,(H2,19,20,21)/b17-14+
InChIKey QDGPUECVDXEZLX-SAPNQHFASA-N
Mol Weight 428.7 g/mol
Molecular Formula C18H32N4O2S2Si
Exact Mass 428.173595 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3uaQm1DIv1i
Name Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldithio)-1-buten-1-yl]-, tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.173595167 u
Formula C18H32N4O2S2Si
InChI InChI=1S/C18H32N4O2S2Si/c1-7-10-25-26-17(8-9-24-27(4,5)6)14(2)22(13-23)12-16-11-20-15(3)21-18(16)19/h11,13H,7-10,12H2,1-6H3,(H2,19,20,21)/b17-14+
InChIKey QDGPUECVDXEZLX-SAPNQHFASA-N
Molecular Weight 428.685 g/mol
SMILES C(N(\C(=C/(SSCCC)CCO[Si](C)(C)C)C)C=O)C1=C(N)N=C(N=C1)C