Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C7H7NO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9H,8H2,(H,10,11)
SMILES Oc1ccc(c(c1)C(=O)O)N
InChI Key HYNQTSZBTIOFKH-UHFFFAOYSA-N
Molecular Formula C7H7NO3
Exact Mass 153.135 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HYNQTSZBTIOFKH-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/HYNQTSZBTIOFKH-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:11:49.996377
MetadataModified 2024-09-07T15:14:58.036597
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
476863 eMolecules
164592 PubChem
MCULE-2088622210 Mcule
20037776 NMRShiftDB
UF9WW3I410 FDA SRS
15146897 PubChem: Thomson Pharma
181437 ChEBI
394-31-0 ACToR
SCHEMBL258366 SureChEMBL
CB4487825 ChemicalBook
DTXSID70192587 EPA CompTox Dashboard
ZINC000002166823 ZINC
105123 Brenda
J71.710J Nikkaji
The data in this table is sourced from UniChem at EBI.