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4-(cyclododecylidene)-butan-2-one

View entire compound with spectra: 2 MS (GC)

4-(cyclododecylidene)-butan-2-one
SpectraBase Compound ID 4y2lYtuvd6I
InChI InChI=1S/C16H28O/c1-15(17)13-14-16-11-9-7-5-3-2-4-6-8-10-12-16/h14H,2-13H2,1H3
InChIKey ATBLVJGCBXRQKQ-UHFFFAOYSA-N
Mol Weight 236.4 g/mol
Molecular Formula C16H28O
Exact Mass 236.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxWdNMzYygI
Name 4-(cyclododecylidene)-butan-2-one
Classification Ketones
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 236.214015521 u
Formula C16H28O
InChI InChI=1S/C16H28O/c1-15(17)13-14-16-11-9-7-5-3-2-4-6-8-10-12-16/h14H,2-13H2,1H3
InChIKey ATBLVJGCBXRQKQ-UHFFFAOYSA-N
Molecular Weight 236.399 g/mol
Number of Peaks 13
SMILES C1CCCC(CCCCCCC1)=CCC(C)=O
SPLASH splash10-0a6r-9450000000-0988e20f26d88ef1a07d
Source of Spectrum FF-4-5-27 (DOI: 10.1002/ffj.2730040102)
Synonyms 4-cyclododecylidenebutan-2-one
Wiley ID 1801180