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/C16H27NO2S/c1-3-13-17-16(19)12-10-8-6-4-5-7-9-11-14-20-15(2)18/h1H,4-14H2,2H3,(H,17,19)
SMILES C#CCNC(=O)CCCCCCCCCCSC(=O)C
InChI Key ZYZROVWSIIWVJU-UHFFFAOYSA-N
Molecular Formula C16H27NO2S
Exact Mass 297.456 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZYZROVWSIIWVJU-UHFFFAOYSA-N/NMR/1H/CDCl3/300
License URL
Source https://www.chemotion-repository.net/inchikey/ZYZROVWSIIWVJU-UHFFFAOYSA-N/NMR/1H/CDCl3/300
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:39:56.610620
MetadataModified 2024-09-07T12:02:19.008528
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427278 PubChem
J2.619.699J Nikkaji
The data in this table is sourced from UniChem at EBI.