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2-Cyclohepten-1-one, 2-pentyl-
SpectraBase Compound ID GEEDcAkPQ1P
InChI InChI=1S/C12H20O/c1-2-3-5-8-11-9-6-4-7-10-12(11)13/h9H,2-8,10H2,1H3
InChIKey XNAPXNLAXOFEHG-UHFFFAOYSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjAUCPbeOOh
Name 2-Cyclohepten-1-one, 2-pentyl-
CAS Registry Number 69519-70-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-2-3-5-8-11-9-6-4-7-10-12(11)13/h9H,2-8,10H2,1H3
InChIKey XNAPXNLAXOFEHG-UHFFFAOYSA-N
Molecular Weight 180.291 g/mol
SMILES C=1(C(=O)CCCCC1)CCCCC
SPLASH splash10-015b-9400000000-85e7abda0f9e17dea95d
Source of Spectrum AJ-57-1939-9
Synonyms 2-Pentyl-2-cyclohepten-1-one
Wiley ID 1176947