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/C76H78N2S2/c1-73(2,3)57-25-37-63(38-26-57)77(64-39-27-58(28-40-64)74(4,5)6)61-33-21-55(22-34-61)69-45-47-71(79-69)67-49-51-13-17-53(67)19-15-52-14-18-54(20-16-51)68(50-52)72-48-46-70(80-72)56-23-35-62(36-24-56)78(65-41-29-59(30-42-65)75(7,8)9)66-43-31-60(32-44-66)76(10,11)12/h13-14,17-18,21-50H,15-16,19-20H2,1-12H3
SMILES CC(c1ccc(cc1)N(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)c1ccc(s1)c1cc2CCc3ccc(CCc1cc2)cc3c1ccc(s1)c1ccc(cc1)N(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)(C)C
InChI Key VSMLPIPFGGPRRP-UHFFFAOYSA-N
Molecular Formula C76H78N2S2
Exact Mass 1083.576 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VSMLPIPFGGPRRP-UHFFFAOYSA-N/CHMO0001071
License URL
Source https://www.chemotion-repository.net/inchikey/VSMLPIPFGGPRRP-UHFFFAOYSA-N/CHMO0001071
Version
Author Steffen Otterbach
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:57:15.222600
MetadataModified 2024-09-08T01:57:15.222605
MetadataPublished 2023-11-13
Field Value
Measurement Technique heteronuclear single quantum coherence total correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
169408876 PubChem
The data in this table is sourced from UniChem at EBI.