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/C70H104N4O4/c1-49(75-71-63(5,6)41-21-42-64(71,7)8)53-25-33-57(34-26-53)61(58-35-27-54(28-36-58)50(2)76-72-65(9,10)43-22-44-66(72,11)12)62(59-37-29-55(30-38-59)51(3)77-73-67(13,14)45-23-46-68(73,15)16)60-39-31-56(32-40-60)52(4)78-74-69(17,18)47-24-48-70(74,19)20/h25-40,49-52H,21-24,41-48H2,1-20H3
SMILES CC(c1ccc(cc1)/C(=C(\c1ccc(cc1)C(ON1C(C)(C)CCCC1(C)C)C)/c1ccc(cc1)C(ON1C(C)(C)CCCC1(C)C)C)/c1ccc(cc1)C(ON1C(C)(C)CCCC1(C)C)C)ON1C(C)(C)CCCC1(C)C
InChI Key QNGORWRAWGSVOI-UHFFFAOYSA-N
Molecular Formula C70H104N4O4
Exact Mass 1065.599 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QNGORWRAWGSVOI-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/QNGORWRAWGSVOI-UHFFFAOYSA-N/CHMO0000593
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:35:59.459101
MetadataModified 2024-09-07T18:33:20.197330
MetadataPublished 2020-08-26
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
154573673 PubChem
The data in this table is sourced from UniChem at EBI.