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

*Links on SpectraBase are not permalinks.

Methyl-N-[(4-methylcyclohexyl)carbonyl]homocysteine, tms derivative

View entire compound with spectra: 1 NMR

Methyl-N-[(4-methylcyclohexyl)carbonyl]homocysteine, tms derivative
SpectraBase Compound ID 54XnjoQ1RsD
InChI InChI=1S/C16H31NO3SSi/c1-12-6-8-13(9-7-12)15(18)17-14(10-11-21-2)16(19)20-22(3,4)5/h12-14H,6-11H2,1-5H3,(H,17,18)
InChIKey CXPLGNPEXSRRHX-UHFFFAOYSA-N
Mol Weight 345.57 g/mol
Molecular Formula C16H31NO3SSi
Exact Mass 345.179392 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 L8uwygGRr7A
Name Methyl-N-[(4-methylcyclohexyl)carbonyl]homocysteine, tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.179391568 u
Formula C16H31NO3SSi
InChI InChI=1S/C16H31NO3SSi/c1-12-6-8-13(9-7-12)15(18)17-14(10-11-21-2)16(19)20-22(3,4)5/h12-14H,6-11H2,1-5H3,(H,17,18)
InChIKey CXPLGNPEXSRRHX-UHFFFAOYSA-N
Molecular Weight 345.573 g/mol
SMILES C(SC)CC(NC(=O)C1CCC(CC1)C)C(=O)O[Si](C)(C)C