Molecule

nfdi4chem-mol2345 (Unknown Molecule)

Chemical Information

Molecular Image

InChI	InChI=1S/C50H70Br4N2S5Si2/c1-15-17-19-21-23-55-33-25-35(62(27(3)4,28(5)6)29(7)8)57-43(33)49-41(55)39(53)47(60-49)45-37(51)38(52)46(59-45)48-40(54)42-50(61-48)44-34(56(42)24-22-20-18-16-2)26-36(58-44)63(30(9)10,31(11)12)32(13)14/h25-32H,15-24H2,1-14H3
SMILES	CCCCCCn1c2c(Br)c(sc2c2c1cc(s2)[Si](C(C)C)(C(C)C)C(C)C)c1sc(c(c1Br)Br)c1sc2c(c1Br)n(c1c2sc(c1)[Si](C(C)C)(C(C)C)C(C)C)CCCCCC
InChI Key	IXNGYVJZOWPTAB-UHFFFAOYSA-N
Exact Mass	1235.216 g/mol

7 Related Dataset(s) ⌄

13C nuclear magnetic resonance spectroscopy (13C NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

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

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

distortionless enhancement with polarization transfer (DEPT)

distortionless enhancement with polarization transfer (DEPT)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol2345
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
177693381	pubchem
The data in this table is sourced from UniChem at EBI.