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2-(Hept-1-yn-1-yl)-6-hydroxy-2-methylcyclohexanone
SpectraBase Compound ID 1PY51evLS9B
InChI InChI=1S/C14H22O2/c1-3-4-5-6-7-10-14(2)11-8-9-12(15)13(14)16/h12,15H,3-6,8-9,11H2,1-2H3/t12-,14-/m1/s1
InChIKey UARHMWKSIHRDCG-TZMCWYRMSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4y0yEt3sVE
Name 2-(Hept-1-yn-1-yl)-6-hydroxy-2-methylcyclohexanone
Alternate Name(s) (2S,6R)-2-(hept-1-yn-1-yl)-6-hydroxy-2-methylcyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-3-4-5-6-7-10-14(2)11-8-9-12(15)13(14)16/h12,15H,3-6,8-9,11H2,1-2H3/t12-,14-/m1/s1
InChIKey UARHMWKSIHRDCG-TZMCWYRMSA-N
Literature Reference DOI 10.1002/anie.201103961
Molecular Weight 222.328 g/mol
SMILES O[C@]1(C(=O)[C@](C)(C#CCCCCC)CCC1)[H]
SPLASH splash10-05ox-9500000000-b059f00585c7d92bca8d
Source of Spectrum ACI-50-SM13-1h
Wiley ID 1780039