Dataset

attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

Chemical Info

InChI	InChI=1S/C30H50O/c1-8-21(19(2)3)10-9-20(4)24-11-12-25-23-17-27(31-7)30-18-22(30)13-16-29(30,6)26(23)14-15-28(24,25)5/h9-10,19-27H,8,11-18H2,1-7H3/b10-9+/t20-,21-,22-,23+,24-,25+,26+,27-,28-,29-,30+/m1/s1
SMILES	CC[C@@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]([C@]23[C@]1(C)CC[C@@H]3C2)OC)C
InChI Key	AQOBCZGNYIDKIJ-CEXMQFLDSA-N
Molecular Formula	C30H50O
Exact Mass	426.717 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AQOBCZGNYIDKIJ-CEXMQFLDSA-N/CHMO0000763
License URL
Source	https://www.chemotion-repository.net/inchikey/AQOBCZGNYIDKIJ-CEXMQFLDSA-N/CHMO0000763
Version
Author	Nicolai Rosenbaum
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:21:12.567571
MetadataModified	2024-09-07T19:31:47.640751
MetadataPublished	2021-03-16

Field	Value
Measurement Technique	attenuated total reflectance Fourier transform infrared spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
14235841	PubChem
J1.299.275K	Nikkaji
16655908	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.