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/C16H23NO4/c1-16(2,3)21-14(18)10-7-11-17-15(19)20-12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3,(H,17,19)
SMILES O=C(OCc1ccccc1)NCCCC(=O)OC(C)(C)C
InChI Key ILYKWFMHSNJPGZ-UHFFFAOYSA-N
Molecular Formula C16H23NO4
Exact Mass 293.358 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ILYKWFMHSNJPGZ-UHFFFAOYSA-N/NMR/1H/CDCl3/300
License URL
Source https://www.chemotion-repository.net/inchikey/ILYKWFMHSNJPGZ-UHFFFAOYSA-N/NMR/1H/CDCl3/300
Version
Author Carmen Cardenal
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:07:20.220768
MetadataModified 2024-09-07T13:36:58.834121
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL16975020 SureChEMBL
J2.175.670I Nikkaji
ZINC000090644676 ZINC
15668650 PubChem: Thomson Pharma
10637470 PubChem
The data in this table is sourced from UniChem at EBI.