SpectraBase Spectrum ID |
DkD4oo3Fv8q |
Name |
Cumol |
CAS Registry Number |
98-82-8 |
Classification |
Pharmaceutical ingredient |
Comments |
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 |
992 |
Retention Index |
885 |
SMILES |
C=1(C(C)C)C=CC=CC1 |
SPLASH |
splash10-0a4i-6900000000-e19a010b9f08e48c3429 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
(1-Methylethyl)benzene
Isopropylbenzene |
Technique |
GC/MS |
Wiley ID |
DD2024_009652 |