Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C25H29F4N3O/c1-17-14-21-20-8-2-3-9-22(20)31-23(21)24(32(17)16-25(27,28)29)18-6-4-7-19(15-18)33-13-12-30-11-5-10-26/h2-4,6-9,15,17,24,30-31H,5,10-14,16H2,1H3/t17-,24-/m1/s1
SMILES FCCCNCCOc1cccc(c1)[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1c2cccc1
InChI Key UZTVFIJYDQIRSV-MZNJEOGPSA-N
Molecular Formula C25H29F4N3O
Exact Mass 463.511 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UZTVFIJYDQIRSV-MZNJEOGPSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/UZTVFIJYDQIRSV-MZNJEOGPSA-N/CHMO0000593
Version
Author amber balazs
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:40:00.975859
MetadataModified 2024-09-07T19:55:45.632888
MetadataPublished 2021-06-01
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
135277196 PubChem
SCHEMBL20441484 SureChEMBL
CHEMBL5404753 ChEMBL
The data in this table is sourced from UniChem at EBI.