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2-(3'-Hydroxybutyl)cyclooctanone
SpectraBase Compound ID LMA75W9ptjd
InChI InChI=1S/C12H22O2/c1-10(13)8-9-11-6-4-2-3-5-7-12(11)14/h10-11,13H,2-9H2,1H3
InChIKey QNNHUUXRJMLXSP-UHFFFAOYSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22hn8w9mQv5
Name 2-(3-hydroxybutyl)-1-cyclooctanone
CAS Registry Number 110288-21-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-10(13)8-9-11-6-4-2-3-5-7-12(11)14/h10-11,13H,2-9H2,1H3
InChIKey QNNHUUXRJMLXSP-UHFFFAOYSA-N
Molecular Weight 198.306 g/mol
SMILES OC(C)CCC1C(CCCCCC1)=O
SPLASH splash10-05mn-9200000000-ef8169c691b3c88c935b
Source of Spectrum H-69-1328-4
Synonyms 2-(3-hydroxybutyl)cyclooctan-1-one 2-(3-Hydroxybutyl)cyclooctanone 2-(3-oxidanylbutyl)cyclooctan-1-one
Wiley ID 1195888