Dataset
infrared absorption spectroscopy (IR)
Chemical Info
InChI | InChI=1S/C11H10INO2/c1-2-15-11(14)10-9(12)7-5-3-4-6-8(7)13-10/h3-6,13H,2H2,1H3 |
---|---|
SMILES | CCOC(=O)c1[nH]c2c(c1I)cccc2 |
InChI Key | BZVJUWYDEMOJMH-UHFFFAOYSA-N |
Molecular Formula | C11H10INO2 |
Exact Mass | 315.107 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/BZVJUWYDEMOJMH-UHFFFAOYSA-N/IR.1 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/BZVJUWYDEMOJMH-UHFFFAOYSA-N/IR.1 |
Version | |
Author | Yu-Chieh Huang |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T01:28:55.681299 |
MetadataModified | 2024-09-07T15:40:27.310514 |
MetadataPublished | 2019-06-27 |
Related Molecule |
Field | Value |
---|---|
Measurement Technique | infrared absorption spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
MCULE-8810707664 | Mcule |
10881580 | PubChem |
SCHEMBL2724382 | SureChEMBL |
ZINC000063110807 | ZINC |
32277808 | eMolecules |
15927701 | PubChem: Thomson Pharma |
DTXSID70446996 | EPA CompTox Dashboard |
J910.223J | Nikkaji |
The data in this table is sourced from UniChem at EBI. |