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/C12H11BrO5/c1-7(14)17-10-4-3-5-11(18-8(2)15)12(10)9(16)6-13/h3-5H,6H2,1-2H3
SMILES BrCC(=O)c1c(cccc1OC(=O)C)OC(=O)C
InChI Key MNINUXVBVLVPGN-UHFFFAOYSA-N
Exact Mass 315.117 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MNINUXVBVLVPGN-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/MNINUXVBVLVPGN-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:37:29.567917
MetadataModified 2024-09-23T09:27:03.434763
MetadataPublished 2024-08-30
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
temperature : 300.0 K

PULPROG : zg30

number of scans : 16 scans

title : SG-V4122 (6)

date : 20240216

starting time : 15.53 h

instrument : spect

label : SG-3538

id : 295591

Solvent : chloroform-D1 (CDCl3)