heteronuclear multiple bond coherence (HMBC)

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Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)\n\n

Chemical Info

InChI	InChI=1S/C8H7FO/c1-6-4-7(5-10)2-3-8(6)9/h2-5H,1H3
SMILES	O=Cc1ccc(c(c1)C)F
InChI Key	NRFKZFFVTGGEQF-UHFFFAOYSA-N
Molecular Formula	C8H7FO
Exact Mass	138.139 g/mol

Data and Resources

heteronuclear multiple bond coherence (HMBC)HTML
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Metadata Information

Field	Value
DOI	10.14272/NRFKZFFVTGGEQF-UHFFFAOYSA-N/CHMO0000601
License URL
Source	https://www.chemotion-repository.net/inchikey/NRFKZFFVTGGEQF-UHFFFAOYSA-N/CHMO0000601
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-03-02T03:10:34.448041
MetadataModified	2025-03-02T03:10:34.448048
MetadataPublished	2025-02-28
Related Molecule

Data-Source Molecule ID	Data-Source
516279	eMolecules
SCHEMBL336067	SureChEMBL
15686130	PubChem: Thomson Pharma
135427-08-6	ACToR
CB8334141	ChemicalBook
J2.987.711D	Nikkaji
ZINC000000157240	ZINC
DTXSID90370547	EPA CompTox Dashboard
MCULE-7263102306	Mcule
20040734	NMRShiftDB
2734874	PubChem
The data in this table is sourced from UniChem at EBI.

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	temperature : 300.0 K PULPROG : hmbcgpndqf number of scans : 8 scans title : CCP-3825 date : 20250214 starting time : 12.26 h instrument : spect label : CCP-3669 id : 344562 Solvent : chloroform-D1 (CDCl3)