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3-Methylcyclopentadec-3-enone

View entire compound with spectra: 2 MS (GC)

3-Methylcyclopentadec-3-enone
SpectraBase Compound ID J4ebLi059zw
InChI InChI=1S/C16H28O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h12H,2-11,13-14H2,1H3/b15-12+
InChIKey XCTNBEARRRQBOE-NTCAYCPXSA-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 9r0eiNIwpIR
Name 3-Methylcyclopentadec-3-enone
Classification Cyclic 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/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h12H,2-11,13-14H2,1H3/b15-12+
InChIKey XCTNBEARRRQBOE-NTCAYCPXSA-N
Molecular Weight 236.399 g/mol
Number of Peaks 19
SMILES C1CC\C=C\(CC(CCCCCCCC1)=O)C
SPLASH splash10-0012-9240000000-3db8a2da9001e1759a27
Source of Spectrum FF-27-56-5 (DOI: 10.1002/ffj.2080)
Synonyms (E)-3-methylcyclopentadec-3-enone (3E)-3-methyl-1-cyclopentadec-3-enone
Wiley ID 1775550