Molecule

pentylsulfonylbenzene

Chemical Information

Molecular Image

InChI	InChI=1S/C11H16O2S/c1-2-3-7-10-14(12,13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3
SMILES	CCCCCS(=O)(=O)c1ccccc1
InChI Key	YTGRXDYSNRZUEE-UHFFFAOYSA-N
Exact Mass	212.309 g/mol

8 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)

attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

electron ionisation mass spectrometry (EI-MS)

high-resolution mass spectrometry (HRMS)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol3527
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
2445501	surechembl
11063755	pubchem
The data in this table is sourced from UniChem at EBI.