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Spectral Data   Additional Data   Download  
Molecule
10008586
Chemical name(s)BENZENE,ISOPROPYL CUMOL
Chemical formulaC9H12
Molecular weight120.192
Number of double bond equivalents (DBEs)4.0
Number of all rings, size of smallest set of smallest rings1, 1
Canonical name(s)
CAS-Number 98-82-8
Additional information NCI Database; ChEBI;
Links from Unichem: ChEMBL;ACToR;ACToR;SureChEMBL;EPA (Environmental Protection Agency) CompTox Dashboard;ChemicalBook;ACToR;ACToR;PubChem ('Thomson Pharma' subset);ZINC;Human Metabolome Database (HMDB);ChEBI (Ch... (truncated)
Molecule keywords
DOI
13C Spectrum
10038598 Rating: 10
Type13C
Measurement conditions
Temperature [K]Unreported
SolventUnreported
Field Strength [MHz]Unreported
Assignment MethodUnreported
Literature S. Berger; S. Braun; H.-O. Kalinowski: 13-C-NMR-Spektroskopie, New York: Thieme Verlag 1984.
Additional comments915.MOL; Multiplicities generated automatically from H count
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
dkfz spektren database
expt-1
1 S 148.8 0.114 148.3148.8
2 D 126.5 0.815 125.8126.6
3 D 128.4 0.826 127.8128.6
4 D 125.9 0.461 125.3126.1
5 D 128.4 0.826 127.8128.6
6 D 126.5 0.815 125.8126.6
7 D 34.3 0.338 34.434.4
8 Q 24.0 1.0 24.024.1
9 Q 24.0 1.0 24.024.1





Spectral Data   Additional Data   Download  
Type: 13C 23
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
dkfz spektren database
expt-1
1 S 148.3 148.8148.8
2 D 125.8 126.5126.6
3 D 127.8 128.4128.6
4 D 125.3 125.9126.1
5 D 127.8 128.4128.6
6 D 125.8 126.5126.6
7 D 34.4 34.334.4
8 Q 24.0 24.024.1
9 Q 24.0 24.024.1






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