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3-Methyl-2-phenyl-4-pentenenitrile
SpectraBase Compound ID AAsGpmpJ1i7
InChI InChI=1S/C12H13N/c1-3-10(2)12(9-13)11-7-5-4-6-8-11/h3-8,10,12H,1H2,2H3
InChIKey CLZKVHSTZVMPCF-UHFFFAOYSA-N
Mol Weight 171.24 g/mol
Molecular Formula C12H13N
Exact Mass 171.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tuPl06zOMW
Name 3-Methyl-2-phenyl-4-pentenenitrile
CAS Registry Number 106046-53-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N
InChI InChI=1S/C12H13N/c1-3-10(2)12(9-13)11-7-5-4-6-8-11/h3-8,10,12H,1H2,2H3
InChIKey CLZKVHSTZVMPCF-UHFFFAOYSA-N
Molecular Weight 171.243 g/mol
SMILES C(#N)C(c1ccccc1)C(C=C)C
SPLASH splash10-014i-0900000000-c8cccdf2cd5f675c19d3
Source of Spectrum AJ-59-1268-4
Synonyms 3-Methyl-2-phenyl-pent-4-enenitrile
Wiley ID 1168126