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Bicyclo[4.1.0]hept-2-ene-7-propanenitrile, 7-methyl-, (1.alpha.,6.alpha.,7.beta.)-(.+-.)-
SpectraBase Compound ID AvYkr3BqIV7
InChI InChI=1S/C11H15N/c1-11(7-4-8-12)9-5-2-3-6-10(9)11/h2,5,9-10H,3-4,6-7H2,1H3/t9-,10+,11-/m0/s1
InChIKey IONBRIXRMLDYDE-AXFHLTTASA-N
Mol Weight 161.25 g/mol
Molecular Formula C11H15N
Exact Mass 161.120449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2nmOGtaYXq
Name Bicyclo[4.1.0]hept-2-ene-7-propanenitrile, 7-methyl-, (1.alpha.,6.alpha.,7.beta.)-(.+-.)-
CAS Registry Number 89044-21-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15N
InChI InChI=1S/C11H15N/c1-11(7-4-8-12)9-5-2-3-6-10(9)11/h2,5,9-10H,3-4,6-7H2,1H3/t9-,10+,11-/m0/s1
InChIKey IONBRIXRMLDYDE-AXFHLTTASA-N
Molecular Weight 161.248 g/mol
SMILES [C@]1([C@]2(C=CCC[C@@]12[H])[H])(CCC#N)C
SPLASH splash10-014i-1900000000-044ea760168499bdb0e6
Source of Spectrum AJ-58-865-17
Synonyms 3-[(1S,6R,7R)-7-methylbicyclo[4.1.0]hept-2-en-7-yl]propanenitrile exo-7-methylbicyclo[4.1.0]hept-2-ene-endo-7-propanenitrile
Wiley ID 1157962