Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C17H16O2/c18-17(19)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2,(H,18,19)
SMILES OC(=O)c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key SWTPMSKJIWTBTQ-UHFFFAOYSA-N
Molecular Formula C17H16O2
Exact Mass 252.308 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SWTPMSKJIWTBTQ-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/SWTPMSKJIWTBTQ-UHFFFAOYSA-N/IR.1
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:34:27.628591
MetadataModified 2024-09-07T15:48:36.450312
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J941.640D Nikkaji
ZINC000000391259 ZINC
MCULE-5768615783 Mcule
VECROL CCDC
4614666 PubChem
15986035 PubChem: Thomson Pharma
SCHEMBL6517827 SureChEMBL
1087029 eMolecules
The data in this table is sourced from UniChem at EBI.