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Bicyclo[2.2.1]heptane-2-propanenitrile, 3-(bicyclo[2.2.1]hept-2-ylcarbonyl)-.beta.-methyl-
SpectraBase Compound ID 2sbPiEkMPrW
InChI InChI=1S/C19H27NO/c1-11(6-7-20)17-14-4-5-15(10-14)18(17)19(21)16-9-12-2-3-13(16)8-12/h11-18H,2-6,8-10H2,1H3/t11?,12-,13+,14+,15+,16-,17?,18?/m0/s1
InChIKey FOHOSNJNNDKHTI-UNJNZSTGSA-N
Mol Weight 285.43 g/mol
Molecular Formula C19H27NO
Exact Mass 285.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 92Wxyeq97bC
Name Bicyclo[2.2.1]heptane-2-propanenitrile, 3-(bicyclo[2.2.1]hept-2-ylcarbonyl)-.beta.-methyl-
CAS Registry Number 67401-08-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27NO
InChI InChI=1S/C19H27NO/c1-11(6-7-20)17-14-4-5-15(10-14)18(17)19(21)16-9-12-2-3-13(16)8-12/h11-18H,2-6,8-10H2,1H3/t11?,12-,13+,14+,15+,16-,17?,18?/m0/s1
InChIKey FOHOSNJNNDKHTI-UNJNZSTGSA-N
Molecular Weight 285.431 g/mol
SMILES C(C1[C@]2(C[C@](C1C(CC#N)C)(CC2)[H])[H])([C@@]1([C@]2(C[C@@](C1)(CC2)[H])[H])[H])=O
SPLASH splash10-00kb-9310000000-d3dfcb9e2a3b70475053
Source of Spectrum H-61-1438-0
Synonyms (3exo-(2''-cyanopropyl)-norbornan-2-exo-yl)-(norbornan-2'-exo-yl)-ketone (3exo-(2''-Cyanopropyl)-norbornan-2-exo-yl)-(norbornan-2'-exo-yl)-ketone 3-[3-(bicyclo[2.2.1]hept-2-ylcarbonyl)bicyclo[2.2.1]hept-2-yl]butanenitrile
Wiley ID 1289178