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3-Pentylcyclooctanone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3-Pentylcyclooctanone
SpectraBase Compound ID Dk3nInAti0z
InChI InChI=1S/C13H24O/c1-2-3-5-8-12-9-6-4-7-10-13(14)11-12/h12H,2-11H2,1H3
InChIKey YVULTJZDXVSULT-UHFFFAOYSA-N
Mol Weight 196.33 g/mol
Molecular Formula C13H24O
Exact Mass 196.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2b45d4kr5ba
Name 3-Pentylcyclooctanone
CAS Registry Number 84002-76-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O
InChI InChI=1S/C13H24O/c1-2-3-5-8-12-9-6-4-7-10-13(14)11-12/h12H,2-11H2,1H3
InChIKey YVULTJZDXVSULT-UHFFFAOYSA-N
Molecular Weight 196.334 g/mol
SMILES C1(=O)CC(CCCCC)CCCCC1
SPLASH splash10-052f-9000000000-8dbd9ea0adb25a173c27
Source of Spectrum F-38-1961-0
Synonyms 3-Pentyl-1-cyclooctanone 3-Pentylcyclooctan-1-one
Wiley ID 1193911