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4-Isopropyl-benzonitrile

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HMNpf8zaWUd
Name 4-Isopropyl-benzonitrile
CAS Registry Number 13816-33-6
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. 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
Instrument Name Varian XL-100
Literature Reference Y. Kusuyama, C. Dyllick, J.D. Roberts, Org. Magn. Resonance 13, 372 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3