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3-(3-Methylene-6-oxoheptyl)-4-(thiophen-2-yl)cyclohex-3-enone
SpectraBase Compound ID 60bTe986b6E
InChI InChI=1S/C18H22O2S/c1-13(5-7-14(2)19)6-8-15-12-16(20)9-10-17(15)18-4-3-11-21-18/h3-4,11H,1,5-10,12H2,2H3
InChIKey JADODXHYDBBJGS-UHFFFAOYSA-N
Mol Weight 302.43 g/mol
Molecular Formula C18H22O2S
Exact Mass 302.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqElZENOGXu
Name 3-(3-Methylene-6-oxoheptyl)-4-(thiophen-2-yl)cyclohex-3-enone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O2S
InChI InChI=1S/C18H22O2S/c1-13(5-7-14(2)19)6-8-15-12-16(20)9-10-17(15)18-4-3-11-21-18/h3-4,11H,1,5-10,12H2,2H3
InChIKey JADODXHYDBBJGS-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301028b
Molecular Weight 302.432 g/mol
SMILES C1(=O)CCC(=C(C1)CCC(CCC(C)=O)=C)c1sccc1
SPLASH splash10-0006-1911000000-b9878742514bbf6dbe17
Source of Spectrum J-77-8382-9b
Synonyms 3-(3-Methylene-6-oxoheptyl)-4-thiophen-2-yl-1-cyclohex-3-enone 3-(3-Methylidene-6-oxoheptyl)-4-thiophen-2-ylcyclohex-3-en-1-one 3-(3-Methylene-6-oxo-heptyl)-4-(2-thienyl)cyclohex-3-en-1-one 3-(3-Methylidene-6-oxidanylidene-heptyl)-4-thiophen-2-yl-cyclohex-3-en-1-one
Wiley ID 1745218