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/C77H120N4O4/c1-53(2)65(82-78-69(9,10)45-25-46-70(78,11)12)57-29-37-61(38-30-57)77(62-39-31-58(32-40-62)66(54(3)4)83-79-71(13,14)47-26-48-72(79,15)16,63-41-33-59(34-42-63)67(55(5)6)84-80-73(17,18)49-27-50-74(80,19)20)64-43-35-60(36-44-64)68(56(7)8)85-81-75(21,22)51-28-52-76(81,23)24/h29-44,53-56,65-68H,25-28,45-52H2,1-24H3
SMILES CC(C(c1ccc(cc1)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 WGLWXSQQPSYNFQ-UHFFFAOYSA-N
Molecular Formula C77H120N4O4
Exact Mass 1165.801 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WGLWXSQQPSYNFQ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/WGLWXSQQPSYNFQ-UHFFFAOYSA-N/CHMO0000593
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:35:23.202499
MetadataModified 2024-09-07T18:32:38.343815
MetadataPublished 2020-08-26
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
154573658 PubChem
The data in this table is sourced from UniChem at EBI.