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/C18H27NO3/c1-13(14-7-9-15(10-8-14)16(20)21)22-19-17(2,3)11-6-12-18(19,4)5/h7-10,13H,6,11-12H2,1-5H3,(H,20,21)
SMILES CC(c1ccc(cc1)C(=O)O)ON1C(C)(C)CCCC1(C)C
InChI Key IXIHDVSFIRGQPP-UHFFFAOYSA-N
Molecular Formula C18H27NO3
Exact Mass 305.412 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IXIHDVSFIRGQPP-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/IXIHDVSFIRGQPP-UHFFFAOYSA-N/CHMO0000593
Version
Author Ilona Wagner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:52:28.304452
MetadataModified 2024-09-08T00:52:28.304458
MetadataPublished 2023-04-10
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID00786690 EPA CompTox Dashboard
J1.744.789K Nikkaji
71363108 PubChem
The data in this table is sourced from UniChem at EBI.