Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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/CHMO0000593.2
License URL
Source	https://www.chemotion-repository.net/inchikey/CDVMGELSTOUEQI-UHFFFAOYSA-N/CHMO0000593.2
Version
Author	Helena Šimek Tosino
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:27:05.834497
MetadataModified	2024-09-23T09:23:13.740627
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : HMS-Q396 date : 20220119 starting time : 16.10 h instrument : spect label : HMS-1604 id : 293356 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : HMS-Q399 date : 20220119 starting time : 16.16 h instrument : spect label : HMS-1604 id : 293356 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : HMS-Q402 date : 20220120 starting time : 14.51 h instrument : spect label : HMS-1604 id : 293356 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : HMS-Q400 date : 20220120 starting time : 14.38 h instrument : spect label : HMS-1604 id : 293356 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : HMS-Q401 date : 20220120 starting time : 14.44 h instrument : spect label : HMS-1604 id : 293356 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : HMS-Q407 date : 20220126 starting time : 15.12 h instrument : spect label : HMS-1604 id : 293356 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : HMS-Q395 date : 20220119 starting time : 16.04 h instrument : spect label : HMS-1604 id : 293356 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : HMS-Q405 date : 20220121 starting time : 12.04 h instrument : spect label : HMS-1604 id : 293356 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : HMS-Q403 date : 20220120 starting time : 14.57 h instrument : spect label : HMS-1604 id : 293356 Solvent : chloroform-D1 (CDCl3)

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