Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C31H36N2O6/c1-19(28-26(34)16-31(2,3)17-27(28)35)32-15-9-8-14-25(29(36)37)33-30(38)39-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h4-7,10-13,24-25,32H,8-9,14-18H2,1-3H3,(H,33,38)(H,36,37)/t25-/m1/s1
SMILES O=C(N[C@@H](C(=O)O)CCCCNC(=C1C(=O)CC(CC1=O)(C)C)C)OCC1c2ccccc2-c2c1cccc2
InChI Key ZPSRBXWVBNVFTO-RUZDIDTESA-N
Molecular Formula C31H36N2O6
Exact Mass 532.627 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZPSRBXWVBNVFTO-RUZDIDTESA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ZPSRBXWVBNVFTO-RUZDIDTESA-N/CHMO0000595
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:20:12.303705
MetadataModified 2025-01-29T16:13:16.609356
MetadataPublished 2024-11-08
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Temperature : 300.0 K K

Puls programme : zgpg30

Number of scans : 1024

Title : SVS-CC05209

Date : 20240305

Start time : 5.08 h

Instrument : spect

Label : SVS-2869

ID : 297911

Solvent : MeOD

Data-Source Molecule ID Data-Source
CB02640516 ChemicalBook
477391 eMolecules
SCHEMBL19708205 SureChEMBL
ZINC000100233372 ZINC
The data in this table is sourced from UniChem at EBI.