Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C14H19BrO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1
SMILES CC(=O)OC[C@H]1O[C@H](Br)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
InChI Key CYAYKKUWALRRPA-RGDJUOJXSA-N
Molecular Formula C14H19BrO9
Exact Mass 411.199 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CYAYKKUWALRRPA-RGDJUOJXSA-N/NMR/1H/CDCl3/300
License URL
Source https://www.chemotion-repository.net/inchikey/CYAYKKUWALRRPA-RGDJUOJXSA-N/NMR/1H/CDCl3/300
Version
Author Marco Mende
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:01:03.701840
MetadataModified 2024-09-07T13:27:40.426844
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000004262104 ZINC
CB6142436 ChemicalBook
CB9142437 ChemicalBook
J6.538B Nikkaji
101776 PubChem
ETH4010665 FDA SRS
SCHEMBL989356 SureChEMBL
TAGPBR CCDC
474404 eMolecules
15301750 PubChem: Thomson Pharma
572-09-8 ACToR
16282536 PubChem: Thomson Pharma
58915-19-8 ACToR
The data in this table is sourced from UniChem at EBI.