Molecule

3,4-bis[4,5-bis(5-methylthiophen-2-yl)thiophen-2-yl]-2,5-bis(5-bromothiophen-2-yl)thiophene

Chemical Information

Molecular Image

InChI	InChI=1S/C40H26Br2S9/c1-19-5-9-25(43-19)23-17-31(49-37(23)27-11-7-21(3)45-27)35-36(40(30-14-16-34(42)48-30)51-39(35)29-13-15-33(41)47-29)32-18-24(26-10-6-20(2)44-26)38(50-32)28-12-8-22(4)46-28/h5-18H,1-4H3
SMILES	Brc1ccc(s1)c1sc(c(c1c1cc(c(s1)c1ccc(s1)C)c1ccc(s1)C)c1cc(c(s1)c1ccc(s1)C)c1ccc(s1)C)c1ccc(s1)Br
InChI Key	IRGZYWXCPQUKOM-UHFFFAOYSA-N
Exact Mass	955.027 g/mol

14 Related Dataset(s) ⌄

13C nuclear magnetic resonance spectroscopy (13C NMR)

13C nuclear magnetic resonance spectroscopy (13C NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

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

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

1H--1H correlation spectroscopy (1H-1H COSY)

1H--1H correlation spectroscopy (1H-1H COSY)

distortionless enhancement with polarization transfer (DEPT)

distortionless enhancement with polarization transfer (DEPT)

distortionless enhancement with polarization transfer (DEPT)

distortionless enhancement with polarization transfer (DEPT)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol2507
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
176528071	pubchem
The data in this table is sourced from UniChem at EBI.