Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C6H10O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,7-8H,1-2H3/t3-,4-/m1/s1
SMILES COC(=O)[C@@H]([C@H](C(=O)OC)O)O
InChI Key PVRATXCXJDHJJN-QWWZWVQMSA-N
Exact Mass 178.140 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PVRATXCXJDHJJN-QWWZWVQMSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/PVRATXCXJDHJJN-QWWZWVQMSA-N/CHMO0001148
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:24:24.835892
MetadataModified 2024-09-23T09:26:03.102804
MetadataPublished 2024-08-07
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
temperature : 298.0 K

PULPROG : hmbcetgpl3nd

number of scans : 4 scans

title : GH_608-68-4_CDCl3_full

date : 20240620

starting time : 21.05 h

instrument : AVIII300

label : GEH-17

id : 117900

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
16337207 PubChem: Thomson Pharma
14772688 PubChem: Thomson Pharma
117356-23-7 ACToR
484566 eMolecules
11851 PubChem
DTXSID50883209 EPA CompTox Dashboard
ZINC000001555576 ZINC
CB0467609 ChemicalBook
NAWNAA CCDC
MCULE-8740293471 Mcule
SCHEMBL590895 SureChEMBL
J127.927K Nikkaji
The data in this table is sourced from UniChem at EBI.