Dataset

heteronuclear multiple bond coherence (HMBC)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H12O5/c1-7(13)11-5-4-10(16-8(2)14)6-12(11)17-9(3)15/h4-6H,1-3H3
SMILES CC(=O)Oc1ccc(c(c1)OC(=O)C)C(=O)C
InChI Key FKSHOQTWUWCWTG-UHFFFAOYSA-N
Exact Mass 236.221 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FKSHOQTWUWCWTG-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/FKSHOQTWUWCWTG-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:12:29.303598
MetadataModified 2024-09-16T13:42:50.420054
MetadataPublished
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
temperature : 300.0 K

PULPROG : hmbcgpndqf

number of scans : 8 scans

title : SG-V4093(5-15)

date : 20240127

starting time : 0.54 h

instrument : spect

label : SG-3501

id : 292111

Solvent : chloroform-D1 (CDCl3)