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/C10H14N2O3S/c13-16(14,10-4-2-1-3-5-10)11-12-6-8-15-9-7-12/h1-5,11H,6-9H2
SMILES O=S(=O)(c1ccccc1)NN1CCOCC1
InChI Key DUAQQPBEBZYIHR-UHFFFAOYSA-N
Molecular Formula C10H14N2O3S
Exact Mass 242.295 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DUAQQPBEBZYIHR-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/DUAQQPBEBZYIHR-UHFFFAOYSA-N/CHMO0000593
Version
Author João Macara
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:08:44.401086
MetadataModified 2024-09-08T00:03:46.719721
MetadataPublished 2023-01-02
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
3666964 PubChem
MCULE-9242757052 Mcule
J3.117.922J Nikkaji
SCHEMBL2227656 SureChEMBL
ZINC000002754735 ZINC
259802 Brenda
3967576 eMolecules
The data in this table is sourced from UniChem at EBI.