Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C23H23NO6/c1-2-13-29-21(25)12-11-20(22(26)27)24-23(28)30-14-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h2-10,19-20H,1,11-14H2,(H,24,28)(H,26,27)/t20-/m1/s1
SMILES C=CCOC(=O)CC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
InChI Key LRBARFFNYOKIAX-HXUWFJFHSA-N
Molecular Formula C23H23NO6
Exact Mass 409.432 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LRBARFFNYOKIAX-HXUWFJFHSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/LRBARFFNYOKIAX-HXUWFJFHSA-N/CHMO0001148
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:19:52.143233
MetadataModified 2025-01-29T16:12:58.653032
MetadataPublished 2024-11-08
Related Molecule
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
temperature : 300.0 K

PULPROG : hmbcgpndqf

number of scans : 8 scans

title : SVS-CC05166

date : 20240320

starting time : 2.16 h

instrument : spect

label : SVS-2871

id : 298032

Solvent : MeOD

Data-Source Molecule ID Data-Source
11036992 PubChem
16101228 PubChem: Thomson Pharma
ZINC000002572446 ZINC
CB8698038 ChemicalBook
The data in this table is sourced from UniChem at EBI.