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2-(3-Propyl-1-oxohex-2-en-1-yl)-1,3,5-cycloheptatriene
SpectraBase Compound ID G1ZNSFRkrhH
InChI InChI=1S/C16H22O/c1-3-9-14(10-4-2)13-16(17)15-11-7-5-6-8-12-15/h5-7,11-13H,3-4,8-10H2,1-2H3
InChIKey PDGMEHASIPJOSU-UHFFFAOYSA-N
Mol Weight 230.35 g/mol
Molecular Formula C16H22O
Exact Mass 230.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RBupcG5Qzl
Name 2-(3-Propyl-1-oxohex-2-en-1-yl)-1,3,5-cycloheptatriene
Alternate Name(s) 1-(1,4,6-cycloheptatrien-1-yl)-3-propyl-2-hexen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O
InChI InChI=1S/C16H22O/c1-3-9-14(10-4-2)13-16(17)15-11-7-5-6-8-12-15/h5-7,11-13H,3-4,8-10H2,1-2H3
InChIKey PDGMEHASIPJOSU-UHFFFAOYSA-N
Molecular Weight 230.351 g/mol
SMILES C1=C(C=CC=CC1)C(C=C(CCC)CCC)=O
SPLASH splash10-000m-3910000000-36aa529f5b7db914964a
Source of Spectrum F-62-8181-23
Wiley ID 1640456