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DL-(1alpha,6alpha/beta,7alpha,8alpha)-6-Hydroxytetracyclo[5.1.0.0(2,4).0(3,5)]octan-8-carbonitrile
SpectraBase Compound ID 6w9dVvtEnXZ
InChI InChI=1S/C9H9NO/c10-1-2-3-4(2)9(11)8-6-5(3)7(6)8/h2-9,11H/t2-,3+,4-,5-,6+,7-,8+,9+/m0/s1
InChIKey TUZQXRMROSVALN-UWTWNTNCSA-N
Mol Weight 147.18 g/mol
Molecular Formula C9H9NO
Exact Mass 147.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtQ0DfAZqAQ
Name DL-(1alpha,6alpha/beta,7alpha,8alpha)-6-Hydroxytetracyclo[5.1.0.0(2,4).0(3,5)]octan-8-carbonitrile
Alternate Name(s) (1R,7R,8S)-6-hydroxytetracyclo[5.1.0.0(2,4).0(3,5)]octane-8-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO
InChI InChI=1S/C9H9NO/c10-1-2-3-4(2)9(11)8-6-5(3)7(6)8/h2-9,11H/t2-,3+,4-,5-,6+,7-,8+,9+/m0/s1
InChIKey TUZQXRMROSVALN-UWTWNTNCSA-N
Literature Reference DOI 10.1002/cber.19911240814
Molecular Weight 147.177 g/mol
SMILES O[C@@]1([C@@]2([C@]([C@]3([C@@]4([C@]3([C@]14[H])[H])[H])[H])([C@@]2(C#N)[H])[H])[H])[H]
SPLASH splash10-014i-9200000000-5a631f922f1ef1a42455
Source of Spectrum K-124-1768-17d/19d
Wiley ID 1794574