1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

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Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

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

1H--13C heteronuclear single quantum coherence...HTML

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Metadata Information

Field	Value
DOI	10.14272/YWBOQVIGDBXVPY-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/YWBOQVIGDBXVPY-UHFFFAOYSA-N/CHMO0001146
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-11
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables	date : 2025-08-22 starting time : 00:13:18 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-25225 id : 355780 Solvent : CDCl3 temperature : 298.069233932178 K PULPROG : hsqcedetgp number of scans : 2 scans 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.