Dataset

process

Chemical Info

InChI	InChI=1S/C29H16F15NO/c30-23(31,24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)44)22(46)20-18-13-7-8-14-19(18)45(15-16-9-3-1-4-10-16)21(20)17-11-5-2-6-12-17/h1-14H,15H2
SMILES	O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1c(c2ccccc2)n(c2c1cccc2)Cc1ccccc1
InChI Key	CDVMGELSTOUEQI-UHFFFAOYSA-N
Exact Mass	679.419 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.14272/CDVMGELSTOUEQI-UHFFFAOYSA-N/BFO0000015
License URL
Source	https://www.chemotion-repository.net/inchikey/CDVMGELSTOUEQI-UHFFFAOYSA-N/BFO0000015
Version
Author	Helena Šimek Tosino
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:27:08.322534
MetadataModified	2024-09-23T09:23:14.674400
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	process
Measurement Variables	temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : HMS-Q430 date : 20220208 starting time : 14.04 h instrument : spect label : HMS-1598 id : 293334 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : HMS-Q429 date : 20220209 starting time : 13.00 h instrument : spect label : HMS-1598 id : 293334 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : HMS-Q434 date : 20220209 starting time : 13.14 h instrument : spect label : HMS-1598 id : 293334 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : HMS-Q436 date : 20220211 starting time : 13.58 h instrument : spect label : HMS-1598 id : 293334 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : HMS-Q435 date : 20220211 starting time : 13.51 h instrument : spect label : HMS-1598 id : 293334 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : HMS-Q433 date : 20220209 starting time : 13.07 h instrument : spect label : HMS-1598 id : 293334 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : HMS-Q432 date : 20220208 starting time : 14.17 h instrument : spect label : HMS-1598 id : 293334 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : HMS-Q431 date : 20220208 starting time : 14.10 h instrument : spect label : HMS-1598 id : 293334 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
164889684	PubChem
The data in this table is sourced from UniChem at EBI.