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BUTYRONITRILE, 3-METHYL- 2-/O-METHYLBENZYL/-,
SpectraBase Compound ID 6pY8rphSRZn
InChI InChI=1S/C13H17N/c1-10(2)13(9-14)8-12-7-5-4-6-11(12)3/h4-7,10,13H,8H2,1-3H3
InChIKey OLYSNKWLQWIKAZ-UHFFFAOYSA-N
Mol Weight 187.29 g/mol
Molecular Formula C13H17N
Exact Mass 187.1361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vZTFuAF94P
Name 3-Methyl-2-(2-methylbenzyl)butanenitrile
CAS Registry Number 29107-37-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N
InChI InChI=1S/C13H17N/c1-10(2)13(9-14)8-12-7-5-4-6-11(12)3/h4-7,10,13H,8H2,1-3H3
InChIKey OLYSNKWLQWIKAZ-UHFFFAOYSA-N
Molecular Weight 187.286 g/mol
SMILES C(Cc1ccccc1C)(C(C)C)C#N
SPLASH splash10-0a4i-3900000000-8f341efd464bf4fd9f87
Source of Spectrum NP-3-3831-0
Synonyms 3-Methyl-2-(O-methylbenzyl)butanenitrile 3-Methyl-2-(o-tolylmethyl)butanenitrile 3-Methyl-2-[(2-methylphenyl)methyl]butanenitrile
Wiley ID 1102649