Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C18H18O4/c1-11-9-13(17(19)21-3)5-7-15(11)16-8-6-14(10-12(16)2)18(20)22-4/h5-10H,1-4H3
SMILES COC(=O)c1ccc(c(c1)C)c1ccc(cc1C)C(=O)OC
InChI Key TUPFBJSZMWZFOO-UHFFFAOYSA-N
Molecular Formula C18H18O4
Exact Mass 298.333 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TUPFBJSZMWZFOO-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/TUPFBJSZMWZFOO-UHFFFAOYSA-N/IR
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:42:04.614229
MetadataModified 2024-09-07T12:05:42.761097
MetadataPublished 2014-05-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427287 PubChem
SCHEMBL16937873 SureChEMBL
LOGMOM CCDC
J1.341.538B Nikkaji
The data in this table is sourced from UniChem at EBI.