Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C8H7NO6S/c1-14-7(10)5-3-4(9(12)13)6(16-5)8(11)15-2/h3H,1-2H3
SMILES COC(=O)c1cc(c(s1)C(=O)OC)[N+](=O)[O-]
InChI Key YWBOQVIGDBXVPY-UHFFFAOYSA-N
Exact Mass 245.209 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YWBOQVIGDBXVPY-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/YWBOQVIGDBXVPY-UHFFFAOYSA-N/CHMO0000596
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-11
Related Molecule
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Date : 2025-08-21

Start time : 23:35:47 UTC

Creator : Sylvia Vanderheiden-Schroen

Label : ComP-25225

ID : 355780

Solvent : CDCl3

Temperature : 297.9997376568 K K

Puls programme : deptsp90

Number of scans : 256

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
3231061 surechembl
68558264 pubchem
Molport-028-956-990 molport
The data in this table is sourced from UniChem at EBI.