Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C18H20O/c1-13(19)18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-13,19H,6-8,10H2,1H3/t13-/m1/s1
SMILES C[C@H](c1cc2CCc3ccc(CCc1cc2)cc3)O
InChI Key IOOIGEUVTBOKRL-CYBMUJFWSA-N
Molecular Formula C18H20O
Exact Mass 252.351 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IOOIGEUVTBOKRL-CYBMUJFWSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/IOOIGEUVTBOKRL-CYBMUJFWSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:16:50.854628
MetadataModified 2024-09-07T15:22:28.997571
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CACTOQ CCDC
MCULE-6698387984 Mcule
J1.689.707H Nikkaji
15974965 PubChem
ZINC000003122318 ZINC
The data in this table is sourced from UniChem at EBI.