Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C21H34O4/c1-19-12-18(23)17(22)11-13(19)3-4-14-15(19)5-7-20(2)16(14)6-8-21(20)24-9-10-25-21/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17+,18+,19-,20-/m0/s1
SMILES O[C@@H]1C[C@@]2(C)[C@H](C[C@H]1O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC12OCCO1)C
InChI Key UHJOUKYFWVJRED-NCSOOZNJSA-N
Molecular Formula C21H34O4
Exact Mass 350.492 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UHJOUKYFWVJRED-NCSOOZNJSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/UHJOUKYFWVJRED-NCSOOZNJSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:11:05.768683
MetadataModified 2024-09-07T15:13:52.687479
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
138453441 PubChem
QUWZOA CCDC
The data in this table is sourced from UniChem at EBI.