Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

InChI	InChI=1S/C6H7IO/c1-4-5(7)2-3-6(4)8/h2-3H2,1H3
SMILES	CC1=C(I)CCC1=O
InChI Key	LMTLWTVJFRYXDO-UHFFFAOYSA-N
Exact Mass	222.024 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
  Go to source

• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LMTLWTVJFRYXDO-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/LMTLWTVJFRYXDO-UHFFFAOYSA-N/CHMO0000593
Version
Author	Thorsten Bach
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-24
Related Molecule

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

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