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/C11H16N2O2S/c14-16(15,11-7-3-1-4-8-11)12-13-9-5-2-6-10-13/h1,3-4,7-8,12H,2,5-6,9-10H2
SMILES O=S(=O)(c1ccccc1)NN1CCCCC1
InChI Key VXIQGBYMXSFXOT-UHFFFAOYSA-N
Molecular Formula C11H16N2O2S
Exact Mass 240.322 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VXIQGBYMXSFXOT-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VXIQGBYMXSFXOT-UHFFFAOYSA-N/CHMO0000593
Version
Author João Macara
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:09:27.577943
MetadataModified 2024-09-08T00:04:46.439063
MetadataPublished 2023-01-02
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
3812730 PubChem
J3.312.458I Nikkaji
SCHEMBL7115197 SureChEMBL
The data in this table is sourced from UniChem at EBI.