Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C72H70N2O12S2/c1-75-57-35-51(36-58(76-2)69(57)83-9)73(52-37-59(77-3)70(84-10)60(38-52)78-4)49-25-21-47(22-26-49)65-29-31-67(87-65)55-33-43-13-17-45(55)19-15-44-14-18-46(20-16-43)56(34-44)68-32-30-66(88-68)48-23-27-50(28-24-48)74(53-39-61(79-5)71(85-11)62(40-53)80-6)54-41-63(81-7)72(86-12)64(42-54)82-8/h13-14,17-18,21-42H,15-16,19-20H2,1-12H3
SMILES COc1cc(cc(c1OC)OC)N(c1cc(OC)c(c(c1)OC)OC)c1ccc(cc1)c1ccc(s1)c1cc2CCc3ccc(CCc1cc2)cc3c1ccc(s1)c1ccc(cc1)N(c1cc(OC)c(c(c1)OC)OC)c1cc(OC)c(c(c1)OC)OC
InChI Key DEJHZAFVUSHPOQ-UHFFFAOYSA-N
Molecular Formula C72H70N2O12S2
Exact Mass 1219.462 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DEJHZAFVUSHPOQ-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/DEJHZAFVUSHPOQ-UHFFFAOYSA-N/CHMO0001146
Version
Author Steffen Otterbach
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:56:28.413478
MetadataModified 2024-09-08T01:56:28.413483
MetadataPublished 2023-11-13
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
169408872 PubChem
The data in this table is sourced from UniChem at EBI.