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4-tert-Butylbenzonitrile
SpectraBase Compound ID EULMaazATNo
InChI InChI=1S/C11H13N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,1-3H3
InChIKey IIZURLNRIMKEDL-UHFFFAOYSA-N
Mol Weight 159.23 g/mol
Molecular Formula C11H13N
Exact Mass 159.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xy5BQ9ffps
Name 4-tert-butylbenzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N
InChI InChI=1S/C11H13N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,1-3H3
InChIKey IIZURLNRIMKEDL-UHFFFAOYSA-N
Instrument Name Shimadzu GLC 17-A-QP5050A
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202001027
Molecular Weight 159.232 g/mol
SMILES c1cc(ccc1C(C)(C)C)C#N
SPLASH splash10-00kf-0900000000-bff4f07630065c51d74e
Source of Spectrum U1-2020-SM12-3d
Wiley ID 1860994