Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C28H40O4/c1-18(29)32-25-15-20-9-10-21-22-11-12-26(31-17-19-7-5-4-6-8-19)27(22,2)14-13-23(21)28(20,3)16-24(25)30/h4-8,20-26,30H,9-17H2,1-3H3/t20-,21-,22-,23-,24-,25+,26-,27-,28-/m0/s1
SMILES	CC(=O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1O)C)CC[C@]1([C@H]3CC[C@@H]1OCc1ccccc1)C
InChI Key	GMCHYIIYPFNRQB-ZZJJTSTKSA-N
Molecular Formula	C28H40O4
Exact Mass	440.615 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GMCHYIIYPFNRQB-ZZJJTSTKSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/GMCHYIIYPFNRQB-ZZJJTSTKSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:11:03.321167
MetadataModified	2024-09-07T15:13:49.067808
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453440	PubChem
The data in this table is sourced from UniChem at EBI.