Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C29H15F16NO/c30-17-12-10-16(11-13-17)21-20(18-8-4-5-9-19(18)46(21)14-15-6-2-1-3-7-15)22(47)23(31,32)24(33,34)25(35,36)26(37,38)27(39,40)28(41,42)29(43,44)45/h1-13H,14H2
SMILES	Fc1ccc(cc1)c1c(c2c(n1Cc1ccccc1)cccc2)C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key	PRGDKTPNTOHGMR-UHFFFAOYSA-N
Molecular Formula	C29H15F16NO
Exact Mass	697.410 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PRGDKTPNTOHGMR-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/PRGDKTPNTOHGMR-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:33:22.968264
MetadataModified	2024-09-07T23:17:16.914881
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
164889710	PubChem
The data in this table is sourced from UniChem at EBI.