Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H21N/c1-3-5-8-12-10-7-11-13(14-12)9-6-4-2/h7,10-11H,3-6,8-9H2,1-2H3
SMILES CCCCc1cccc(n1)CCCC
InChI Key RGEOFKQEGVQSBX-UHFFFAOYSA-N
Molecular Formula C13H21N
Exact Mass 191.313 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RGEOFKQEGVQSBX-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/RGEOFKQEGVQSBX-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:21:12.295974
MetadataModified 2024-09-07T15:28:51.939856
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
4639979 PubChem
ZINC000003107432 ZINC
SCHEMBL1404092 SureChEMBL
MCULE-7174724518 Mcule
The data in this table is sourced from UniChem at EBI.