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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 OKjhT7Vgsf
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
Literature Reference DOI 10.1021/acs.joc.5b01305
Molecular Weight 159.232 g/mol
SMILES C(c1ccc(cc1)C(C)(C)C)#N
SPLASH splash10-00kf-0900000000-9632268a4e2f1ff1642a
Source of Spectrum J-80-8662-2a
Synonyms 4-(tert-butyl)benzonitrile
Wiley ID 1801665