Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C7H8/c1-3-5-7-6-4-2/h1-2H,5-7H2
SMILES C#CCCCC#C
InChI Key RSPZSDWVQWRAEF-UHFFFAOYSA-N
Molecular Formula C7H8
Exact Mass 92.138 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RSPZSDWVQWRAEF-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/RSPZSDWVQWRAEF-UHFFFAOYSA-N/CHMO0000604
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:01:23.695933
MetadataModified 2025-02-04T11:37:33.887508
MetadataPublished 2024-09-06
Related Molecule
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
14891400 PubChem: Thomson Pharma
2396-63-6 ACToR
505374 eMolecules
J49.274D Nikkaji
CB9250208 ChemicalBook
SCHEMBL973460 SureChEMBL
ZINC000001582544 ZINC
DTXSID2062373 EPA CompTox Dashboard
337121 PubChem
MCULE-5922749271 Mcule
The data in this table is sourced from UniChem at EBI.