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4-Isopropyl-benzonitrile

View entire compound with spectra: 1 NMR, 2 FTIR, 1 Raman, and 3 MS (GC)

4-Isopropyl-benzonitrile
SpectraBase Compound ID 9iAkvwElKhB
InChI InChI=1S/C10H11N/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,1-2H3
InChIKey YFDJCWXBKWRDPW-UHFFFAOYSA-N
Mol Weight 145.2 g/mol
Molecular Formula C10H11N
Exact Mass 145.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6smUyBifQ2T
Name Benzonitrile, 4-(1-methylethyl)-
Alternate Name(s) Benzonitrile, p-isopropyl- 4-(1-Methylethyl)benzonitrile 4-Isopropylbenzonitrile 4-Propan-2-ylbenzenecarbonitrile 4-Propan-2-ylbenzonitrile Cuminic nitrile Cuminonitrile Cuminyl nitrile p-Cyanocumene p-Isopropylbenzonitrile BRN 1932883 EINECS 237-492-3
CAS Registry Number 13816-33-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11N
InChI InChI=1S/C10H11N/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,1-2H3
InChIKey YFDJCWXBKWRDPW-UHFFFAOYSA-N
Molecular Weight 145.205 g/mol
SMILES C(#N)c1ccc(cc1)C(C)C
SPLASH splash10-001i-0900000000-c8b2262e76d65ead375a
Source of Spectrum C-112-3081-45
Wiley ID 1143605