Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C22H17IO3/c1-13-10-11-22(21(26)16-8-4-5-9-18(16)23)17(12-13)19(24)14-6-2-3-7-15(14)20(22)25/h2-10,17H,11-12H2,1H3/t17-,22+/m0/s1
SMILES	CC1=CC[C@]2([C@@H](C1)C(=O)c1c(C2=O)cccc1)C(=O)c1ccccc1I
InChI Key	HTUXSVMUHUMUTO-HTAPYJJXSA-N
Molecular Formula	C22H17IO3
Exact Mass	456.273 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
  Explore

  • More information
  • Go to resource

• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HTUXSVMUHUMUTO-HTAPYJJXSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/HTUXSVMUHUMUTO-HTAPYJJXSA-N/CHMO0000593
Version
Author	Janina Beck
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:12:01.016662
MetadataModified	2024-09-07T18:00:49.516138
MetadataPublished	2020-05-07
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
146035829	PubChem
The data in this table is sourced from UniChem at EBI.