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4-Amino-3-(3'-hydroxy-3'-methylbutyl)benzonitrile

View entire compound with spectra: 1 MS (GC)

4-Amino-3-(3'-hydroxy-3'-methylbutyl)benzonitrile
SpectraBase Compound ID JSa1r34e21j
InChI InChI=1S/C12H16N2O/c1-12(2,15)6-5-10-7-9(8-13)3-4-11(10)14/h3-4,7,15H,5-6,14H2,1-2H3
InChIKey IBVSOIVIXVXTSE-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C12H16N2O
Exact Mass 204.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I9bZ8Jauiw7
Name 4-Amino-3-(3'-hydroxy-3'-methylbutyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O
InChI InChI=1S/C12H16N2O/c1-12(2,15)6-5-10-7-9(8-13)3-4-11(10)14/h3-4,7,15H,5-6,14H2,1-2H3
InChIKey IBVSOIVIXVXTSE-UHFFFAOYSA-N
Molecular Weight 204.273 g/mol
SMILES OC(CCc1cc(ccc1N)C#N)(C)C
SPLASH splash10-0089-0920000000-083cf7b9ea0197a75bb7
Source of Spectrum H-60-1026-0
Synonyms 4-Amino-3-(3-hydroxy-3-methylbutyl)benzonitrile
Wiley ID 1201880