Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H15INO/c1-11(2)9-6-5-8(13)7-10(9)12(3,4)14(11)15/h5-7H,1-4H3
SMILES	Ic1ccc2c(c1)C(C)(C)N(C2(C)C)[O]
InChI Key	ZEQLGGMCOXYGGY-UHFFFAOYSA-N
Molecular Formula	C12H15INO
Exact Mass	316.158 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZEQLGGMCOXYGGY-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/ZEQLGGMCOXYGGY-UHFFFAOYSA-N/CHMO0000470
Version
Author	Isabelle Wessely
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:53:24.784314
MetadataModified	2024-09-07T17:35:20.784750
MetadataPublished	2020-04-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL5604325	SureChEMBL
101846741	PubChem
ZINC000140207519	ZINC
J2.576.271A	Nikkaji
The data in this table is sourced from UniChem at EBI.