Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

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

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

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.