Dataset
infrared absorption spectroscopy (IR)
Chemical Info
InChI | InChI=1S/C11H11ClO3/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7H,1-3H2,(H,14,15) |
---|---|
SMILES | O=C(c1ccc(cc1)Cl)CCCC(=O)O |
InChI Key | BVLILROMUFYKGH-UHFFFAOYSA-N |
Molecular Formula | C11H11ClO3 |
Exact Mass | 226.656 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/BVLILROMUFYKGH-UHFFFAOYSA-N/IR |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/BVLILROMUFYKGH-UHFFFAOYSA-N/IR |
Version | |
Author | Nicole Jung |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T22:34:43.357114 |
MetadataModified | 2024-09-07T11:54:28.539899 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | infrared absorption spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
716077 | eMolecules |
MCULE-3832021948 | Mcule |
MolPort-000-153-465 | MolPort |
J721.982B | Nikkaji |
16313518 | PubChem: Thomson Pharma |
SCHEMBL2743322 | SureChEMBL |
2733716 | PubChem |
ZINC000002378611 | ZINC |
The data in this table is sourced from UniChem at EBI. |