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3-Hepten-2-one, 6-methyl-6-(3-methyl-2H-pyran-6-yl)-, (E)-
SpectraBase Compound ID KtFi3WSDok3
InChI InChI=1S/C14H20O2/c1-11-7-8-13(16-10-11)14(3,4)9-5-6-12(2)15/h5-8H,9-10H2,1-4H3/b6-5+
InChIKey ATGBJMLAUQKLRX-AATRIKPKSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IgYBih94urk
Name 3-Hepten-2-one, 6-methyl-6-(3-methyl-2H-pyran-6-yl)-, (E)-
Alternate Name(s) (E)-6-methyl-6-(3-methyl-2H-pyran-6-yl)-3-hepten-2-one (E)-6-methyl-6-(3-methyl-2H-pyran-6-yl)hept-3-en-2-one
CAS Registry Number 88354-49-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-11-7-8-13(16-10-11)14(3,4)9-5-6-12(2)15/h5-8H,9-10H2,1-4H3/b6-5+
InChIKey ATGBJMLAUQKLRX-AATRIKPKSA-N
Molecular Weight 220.312 g/mol
SMILES C=1(OCC(=CC1)C)C(C\C=C\C(=O)C)(C)C
SPLASH splash10-0006-9600000000-f2ca86f0948b4b2eb342
Source of Spectrum H-66-1649-0
Wiley ID 1220081