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1-(3-Hydroxy-but-1-ynyl)-cyclooctan-1-ol
SpectraBase Compound ID F7902T3nMA2
InChI InChI=1S/C12H20O2/c1-11(13)7-10-12(14)8-5-3-2-4-6-9-12/h11,13-14H,2-6,8-9H2,1H3
InChIKey IBTMTACTXBUNLI-UHFFFAOYSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GcsGPFfczv
Name 1-(3-Hydroxy-but-1-ynyl)-cyclooctan-1-ol
Classification Ynones
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 196.146329882 u
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-11(13)7-10-12(14)8-5-3-2-4-6-9-12/h11,13-14H,2-6,8-9H2,1H3
InChIKey IBTMTACTXBUNLI-UHFFFAOYSA-N
Molecular Weight 196.290 g/mol
Number of Peaks 10
SMILES OC(C#CC1(CCCCCCC1)O)C
SPLASH splash10-052f-9100000000-427e6c6ad04c0db2050d
Source of Spectrum FF-4-3-7 (DOI: 10.1002/ffj.2730040102)
Synonyms 1-(3-hydroxybut-1-yn-1-yl)cyclooctan-1-ol
Wiley ID 1801186