Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C29H36O/c1-28-16-14-21(30)18-20(28)10-11-24-26-13-12-25(29(26,2)17-15-27(24)28)23-9-5-7-19-6-3-4-8-22(19)23/h3-9,12,20-21,24,26-27,30H,10-11,13-18H2,1-2H3/t20-,21-,24-,26-,27-,28-,29+/m0/s1
SMILES	O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2c1cccc2c1cccc2)C)C
InChI Key	LUJCLVQAVWEEER-FJTVDOQRSA-N
Molecular Formula	C29H36O
Exact Mass	400.596 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LUJCLVQAVWEEER-FJTVDOQRSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/LUJCLVQAVWEEER-FJTVDOQRSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:15:43.562633
MetadataModified	2024-09-07T15:20:48.192731
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
J3.611.138K	Nikkaji
132991956	PubChem
The data in this table is sourced from UniChem at EBI.