Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C23H32O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15,17-19,26H,3-10,12-13H2,1-2H3/t15-,17+,18-,19+,21-,22+,23-/m0/s1
SMILES O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C
InChI Key REJBTXQSIQFRRE-NQFMHKJYSA-N
Molecular Formula C23H32O4
Exact Mass 372.498 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/REJBTXQSIQFRRE-NQFMHKJYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/REJBTXQSIQFRRE-NQFMHKJYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:12:58.343776
MetadataModified 2024-09-07T15:16:43.007540
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
70056212 NMRShiftDB
ZINC000004063408 ZINC
11875333 PubChem
SCHEMBL7286722 SureChEMBL
The data in this table is sourced from UniChem at EBI.