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AXINYNITRILE_A
SpectraBase Compound ID 3Mb2cYN6piM
InChI InChI=1S/C16H23N/c1-10-6-5-7-12-8-11(9-17)13-14(15(13,2)3)16(10,12)4/h8,10-11,13-14H,5-7H2,1-4H3/t10-,11+,13-,14+,16+/m0/s1
InChIKey CHWSGROQUOSJCE-OYCUPVHPSA-N
Mol Weight 229.37 g/mol
Molecular Formula C16H23N
Exact Mass 229.18305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20YNYrI5LJJ
Name 7-Cyano-4,4a-dimethyl-5,6-[2',2'-dimethylcyclopropa[c](hexahydro)naphthalen-7-one
Alternate Name(s) Axinynitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23N
InChI InChI=1S/C16H23N/c1-10-6-5-7-12-8-11(9-17)13-14(15(13,2)3)16(10,12)4/h8,10-11,13-14H,5-7H2,1-4H3/t10-,11+,13-,14+,16+/m0/s1
InChIKey CHWSGROQUOSJCE-OYCUPVHPSA-N
Molecular Weight 229.367 g/mol
SMILES [C@]12(C(C)(C)[C@]2([C@@](C#N)(C=C2[C@]1([C@](CCC2)(C)[H])C)[H])[H])[H]
SPLASH splash10-001r-0940000000-21c1b307c1ea9e1d2f95
Source of Spectrum G4-71-2008-9
Wiley ID 1695186