Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H17NO3S/c1-11-6-8-12(9-7-11)18(16,17)14-10-4-2-3-5-13(14)15/h6-9H,2-5,10H2,1H3
SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCCCC1=O
InChI Key JBHQGJXHBSEKOX-UHFFFAOYSA-N
Molecular Formula C13H17NO3S
Exact Mass 267.344 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JBHQGJXHBSEKOX-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/JBHQGJXHBSEKOX-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:09:41.664049
MetadataModified 2024-09-07T15:11:49.035585
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
16950166 PubChem: Thomson Pharma
11832374 PubChem
SCHEMBL7094393 SureChEMBL
ZINC000036468852 ZINC
DOSFUN CCDC
J2.538.124F Nikkaji
The data in this table is sourced from UniChem at EBI.