Dataset

process

Chemical Info

InChI	InChI=1S/C18H19BrO/c19-12-18(20)17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-11,18,20H,5-7,9,12H2
SMILES	BrCC(c1cc2CCc3ccc(CCc1cc2)cc3)O
InChI Key	PYIWRTYVVXWWHU-UHFFFAOYSA-N
Exact Mass	331.247 g/mol

Data and Resources

• processHTML
  Explore

  • More information
  • Go to resource

• process

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PYIWRTYVVXWWHU-UHFFFAOYSA-N/BFO0000015
License URL
Source	https://www.chemotion-repository.net/inchikey/PYIWRTYVVXWWHU-UHFFFAOYSA-N/BFO0000015
Version
Author	Patrick Kern
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:50:24.212413
MetadataModified	2024-09-23T09:25:11.479945
MetadataPublished	2024-06-05

Field	Value
Measurement Technique	process
Measurement Variables	temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : May02-2022 date : 20220502 starting time : 16.22 h instrument : Avance NEO label : PAK-328 id : 222298 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.