Dataset

high-resolution mass spectrometry (HRMS)

Chemical Information

InChI	InChI=1S/C28H25F3O3/c1-26-22-15-9-8-14-20(22)19-12-6-7-13-21(19)23(26)16-17-24(26)34-25(32)27(33-2,28(29,30)31)18-10-4-3-5-11-18/h3-15,23-24H,16-17H2,1-2H3/t23-,24-,26-,27+/m1/s1
SMILES	CO[C@@](C(F)(F)F)(c1ccccc1)C(=O)O[C@@H]1CC[C@H]2[C@@]1(C)c1ccccc1-c1c2cccc1
InChI Key	DKVRPXDDHNZJKR-RSQMYVMBSA-N
Exact Mass	466.492 g/mol

Data and Resources

• high-resolution mass spectrometry (HRMS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DKVRPXDDHNZJKR-RSQMYVMBSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/DKVRPXDDHNZJKR-RSQMYVMBSA-N/CHMO0000498
Version
Author	Thorsten Bach
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-24
Related Molecule

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.