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/C78H120N4O4/c1-53(2)67(83-79-71(9,10)45-25-46-72(79,11)12)61-37-29-57(30-38-61)65(58-31-39-62(40-32-58)68(54(3)4)84-80-73(13,14)47-26-48-74(80,15)16)66(59-33-41-63(42-34-59)69(55(5)6)85-81-75(17,18)49-27-50-76(81,19)20)60-35-43-64(44-36-60)70(56(7)8)86-82-77(21,22)51-28-52-78(82,23)24/h29-44,53-56,67-70H,25-28,45-52H2,1-24H3
SMILES CC(C(c1ccc(cc1)/C(=C(\c1ccc(cc1)C(C(C)C)ON1C(C)(C)CCCC1(C)C)/c1ccc(cc1)C(C(C)C)ON1C(C)(C)CCCC1(C)C)/c1ccc(cc1)C(C(C)C)ON1C(C)(C)CCCC1(C)C)ON1C(C)(C)CCCC1(C)C)C
InChI Key FGXFTIBXXNBPDU-UHFFFAOYSA-N
Molecular Formula C78H120N4O4
Exact Mass 1177.812 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FGXFTIBXXNBPDU-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/FGXFTIBXXNBPDU-UHFFFAOYSA-N/CHMO0000593
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:38:14.919656
MetadataModified 2024-09-07T18:36:10.287852
MetadataPublished 2020-08-26
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
154573672 PubChem
The data in this table is sourced from UniChem at EBI.