Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,13-16H,5-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1
SMILES O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC=CC2
InChI Key ISJVDMWNISUFRJ-HKQXQEGQSA-N
Molecular Formula C19H28O
Exact Mass 272.425 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ISJVDMWNISUFRJ-HKQXQEGQSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ISJVDMWNISUFRJ-HKQXQEGQSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:10:58.474628
MetadataModified 2024-09-07T15:13:42.089968
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-8109491654 Mcule
ZINC000003978361 ZINC
50388394 BindingDB
J21.002A Nikkaji
QUWYUF CCDC
CB4139908 ChemicalBook
AHC8P4E4ZL FDA SRS
101928 PubChem
16388493 PubChem: Thomson Pharma
CHEMBL2058267 ChEMBL
PD163862 ProbesDrugs
16890769 PubChem: Thomson Pharma
10451573 eMolecules
SCHEMBL334387 SureChEMBL
The data in this table is sourced from UniChem at EBI.