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Cumene
SpectraBase Compound ID 2LwZ3kFDCId
InChI InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey RWGFKTVRMDUZSP-UHFFFAOYSA-N
Mol Weight 120.19 g/mol
Molecular Formula C9H12
Exact Mass 120.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Efarn3TSOY
Name Cumene
Source of Sample SAFC Cat.no. C87657
CAS Registry Number 98-82-8
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 120.093900386 u
Formula C9H12
InChI InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey RWGFKTVRMDUZSP-UHFFFAOYSA-N
Molecular Weight 120.195 g/mol
Number of Peaks 49
RI1 922
RI2 601
RI3 584
RI4 525
SMILES c1(C(C)C)ccccc1
SPLASH splash10-0a4i-3900000000-431a9d1632cf0969602c
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Benzene, (1-methylethyl)-
Wiley ID LM_FFNSC3_1842