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(1R,3R,4S,6S)-4,7,7-Trimethyl-bicyclo[4.1.0]heptane-3-carbonitrile
SpectraBase Compound ID Gwq2tSQW5SG
InChI InChI=1S/C11H17N/c1-7-4-9-10(11(9,2)3)5-8(7)6-12/h7-10H,4-5H2,1-3H3/t7-,8+,9-,10-/m0/s1
InChIKey LYDMFCPPNHZPCM-JXUBOQSCSA-N
Mol Weight 163.26 g/mol
Molecular Formula C11H17N
Exact Mass 163.1361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HoCnkypuyrD
Name (1R,3R,4S,6S)-4,7,7-Trimethyl-bicyclo[4.1.0]heptane-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17N
InChI InChI=1S/C11H17N/c1-7-4-9-10(11(9,2)3)5-8(7)6-12/h7-10H,4-5H2,1-3H3/t7-,8+,9-,10-/m0/s1
InChIKey LYDMFCPPNHZPCM-JXUBOQSCSA-N
Molecular Weight 163.264 g/mol
SMILES [C@@]12([C@@](C[C@@]([C@](C2)(C)[H])(C#N)[H])([H])C1(C)C)[H]
SPLASH splash10-022d-2900000000-942a6d64610e87ce75a8
Source of Spectrum SK-20-1502-7
Synonyms (1R,3R,4S,6S)-3-Cyano-4,7,7-trimethylbicyclo[4.4.1]heptane (1S,3S,4S,6S)-4,7,7-trimethylbicyclo[4.1.0]heptane-3-carbonitrile (trans)-Caran-(trans)-4-carbonitrile 4-Cyano-3,7,7-trimethylbicyclo[4.4.1]heptane
Wiley ID 851438