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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 2lQiWBCkh1c
Name Cumol
CAS Registry Number 98-82-8
Classification Pharmaceutical ingredient
Comments Spectrum verified by crosschecking against external libraries (five reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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
Ionization Type Electron Ionization (EI)
Molecular Weight 120.195 g/mol
Nominal Mass 120 u
Quality 976
Retention Index 885
SMILES C=1(C(C)C)C=CC=CC1
SPLASH splash10-0a4i-4900000000-442e1012b6c5f9557bb7
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (1-Methylethyl)benzene Isopropylbenzene
Technique GC/MS
Wiley ID DD2024_000830