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1-(3-HYDROXY-1-BUTINYL)-CYCLODODECAN-1-OL
SpectraBase Compound ID IYGBjLzy83d
InChI InChI=1S/C16H28O2/c1-15(17)11-14-16(18)12-9-7-5-3-2-4-6-8-10-13-16/h15,17-18H,2-10,12-13H2,1H3
InChIKey QFEFUNSRQOMXBY-UHFFFAOYSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cLy6QeclQ6
Name 1-(3-Hydroxy-but-1-ynyl)-cyclododecan-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 252.208930140 u
Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-15(17)11-14-16(18)12-9-7-5-3-2-4-6-8-10-13-16/h15,17-18H,2-10,12-13H2,1H3
InChIKey QFEFUNSRQOMXBY-UHFFFAOYSA-N
Molecular Weight 252.398 g/mol
Number of Peaks 15
SMILES OC(C#CC1(CCCCCCCCCCC1)O)C
SPLASH splash10-0a4i-9570000000-f650e2dc7e706608abdf
Source of Spectrum FF-4-3-10 (DOI: 10.1002/ffj.2730040102)
Synonyms 1-(3-hydroxybut-1-yn-1-yl)cyclododecan-1-ol
Wiley ID 1801163