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Cycloheptan-2-ol-1-one, 2-(4-hydroxy-1-butynyl)-
SpectraBase Compound ID AdqPDWEILMr
InChI InChI=1S/C11H16O3/c12-9-5-4-8-11(14)7-3-1-2-6-10(11)13/h12,14H,1-3,5-7,9H2
InChIKey WXLBQMMHFNSTAU-UHFFFAOYSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZnVLFDeqpg
Name Cycloheptan-2-ol-1-one, 2-(4-hydroxy-1-butynyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c12-9-5-4-8-11(14)7-3-1-2-6-10(11)13/h12,14H,1-3,5-7,9H2
InChIKey WXLBQMMHFNSTAU-UHFFFAOYSA-N
Molecular Weight 196.246 g/mol
SMILES OC1(C#CCCO)C(=O)CCCCC1
SPLASH splash10-0007-9300000000-c226b639923b7e1694de
Synonyms 2-Hydroxy-2-(4-hydroxy-1-butynyl)cycloheptanone 2-Hydroxy-2-(4-hydroxybut-1-ynyl)-1-cycloheptanone 2-Hydroxy-2-(4-hydroxybut-1-ynyl)cycloheptan-1-one 2-Hydroxy-2-(4-hydroxybut-1-ynyl)cycloheptanone 2-Oxidanyl-2-(4-oxidanylbut-1-ynyl)cycloheptan-1-one
Wiley ID 1479587