Dataset

heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY)

dataset for heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C64H50N2O4S2/c1-67-47-21-25-57-53(35-47)54-36-48(68-2)22-26-58(54)65(57)45-17-13-43(14-18-45)61-29-31-63(71-61)51-33-39-5-9-41(51)11-7-40-6-10-42(12-8-39)52(34-40)64-32-30-62(72-64)44-15-19-46(20-16-44)66-59-27-23-49(69-3)37-55(59)56-38-50(70-4)24-28-60(56)66/h5-6,9-10,13-38H,7-8,11-12H2,1-4H3
SMILES COc1ccc2c(c1)c1cc(OC)ccc1n2c1ccc(cc1)c1ccc(s1)c1cc2CCc3ccc(CCc1cc2)cc3c1ccc(s1)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)OC)OC
InChI Key ZTMWUEFPXMDDBX-UHFFFAOYSA-N
Molecular Formula C64H50N2O4S2
Exact Mass 975.223 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZTMWUEFPXMDDBX-UHFFFAOYSA-N/CHMO0001071
License URL
Source https://www.chemotion-repository.net/inchikey/ZTMWUEFPXMDDBX-UHFFFAOYSA-N/CHMO0001071
Version
Author Steffen Otterbach
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:53:29.998888
MetadataModified 2024-09-08T01:53:29.998894
MetadataPublished 2023-11-13
Related Molecule
  • 9-[4-[5-[11-[5-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]-3,6-dimethoxycarbazole
    • Field Value
    Measurement Technique heteronuclear single quantum coherence total correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    169408871 PubChem
    The data in this table is sourced from UniChem at EBI.