Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C21H33N3O6/c1-10(2)7-28-19(25)13-16(22)14(20(26)29-8-11(3)4)18(24)15(17(13)23)21(27)30-9-12(5)6/h10-12H,7-9,22-24H2,1-6H3
SMILES CC(COC(=O)c1c(N)c(C(=O)OCC(C)C)c(c(c1N)C(=O)OCC(C)C)N)C
InChI Key MZVWXNMVEPSDOD-UHFFFAOYSA-N
Molecular Formula C21H33N3O6
Exact Mass 423.503 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MZVWXNMVEPSDOD-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/MZVWXNMVEPSDOD-UHFFFAOYSA-N/CHMO0000593
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:47:12.676252
MetadataModified 2024-09-07T22:20:47.501892
MetadataPublished 2022-06-23
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
163407592 PubChem
The data in this table is sourced from UniChem at EBI.