Molecule

4-propan-2-ylaniline

Chemical Information

28 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)

4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+

4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+

4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+

4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+

4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+

4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+

4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+

4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+

4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+

4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+

4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+

4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+

4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+

4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+

4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+

4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+

4-Isopropylaniline; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+

4-Isopropylaniline; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+

4-Isopropylaniline; LC-ESI-QTOF; MS2; CE: Ramp 15.7-23.5 eV; R=35000; [M+H]+

distortionless enhancement with polarization transfer (DEPT)

distortionless enhancement with polarization transfer (DEPT)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol18771
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
DB02114	drugbank
CHEBI:43405	chebi
ISO	rcsb_pdb
5955	surechembl
7464	pubchem
0D54T7V7XL	fdasrs
PD008541	probes_and_drugs
ISO	pdbe
HMDB0062481	hmdb
DTXSID20243932	comptox
Molport-000-145-863	molport
The data in this table is sourced from UniChem at EBI.