heteronuclear single quantum coherence (HSQC)

Repository

Chemotion - Repository

The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR,...

License

No License Provided

Export

DCAT-AP(rdf/xml) DCAT-AP(xml) DCAT-AP(ttl) DCAT-AP(jsonld)

Schema.Org(rdf/xml) Schema.Org(xml) Schema.Org(ttl) Schema.Org(jsonld)

Dataset

heteronuclear single quantum coherence (HSQC)

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

Chemical Info

molecular Image

InChI	InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
SMILES	COc1ccc(cc1)C(=O)C
InChI Key	NTPLXRHDUXRPNE-UHFFFAOYSA-N
Exact Mass	150.174 g/mol

Data and Resources

heteronuclear single quantum coherence (HSQC)HTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI	10.14272/NTPLXRHDUXRPNE-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/NTPLXRHDUXRPNE-UHFFFAOYSA-N/CHMO0000604
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:31:49.011653
MetadataModified	2024-09-23T09:26:29.678255
MetadataPublished	2024-08-19

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	temperature : 300.1 K PULPROG : hsqcedetgp number of scans : 2 scans title : SG-CCP-3767 date : 20240816 starting time : 22.43 h instrument : spect label : CCP-3586 id : 321772 Solvent : chloroform-D1 (CDCl3)