Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C18H26N2O6/c1-17(2)8-12(20-14(22)5-7-16(25)26)9-18(3,10-17)11-19-13(21)4-6-15(23)24/h4-7,12H,8-11H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/b6-4-,7-5-
SMILES O=C(NCC1(C)CC(NC(=O)/C=C\C(=O)O)CC(C1)(C)C)/C=C\C(=O)O
InChI Key OSMXVZQQWFMTPK-PEPZGXQESA-N
Molecular Formula C18H26N2O6
Exact Mass 366.409 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OSMXVZQQWFMTPK-PEPZGXQESA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/OSMXVZQQWFMTPK-PEPZGXQESA-N/CHMO0001150
Version
Author hatice mutlu
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-05-10
Related Molecule
  • (Z)-4-[[5-[[(Z)-3-carboxyprop-2-enoyl]amino]-1,3,3-trimethylcyclohexyl]methylamino]-4-oxobut-2-enoic acid
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168059105 PubChem
    The data in this table is sourced from UniChem at EBI.