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2,10-diketo-1-(3-thenyl)azecane-3-carboxylic acid allyl ester
SpectraBase Compound ID 8c4YB652vPj
InChI InChI=1S/C18H23NO4S/c1-2-10-23-18(22)15-7-5-3-4-6-8-16(20)19(17(15)21)12-14-9-11-24-13-14/h2,9,11,13,15H,1,3-8,10,12H2
InChIKey XBHYQMIOJFNAGK-UHFFFAOYSA-N
Mol Weight 349.45 g/mol
Molecular Formula C18H23NO4S
Exact Mass 349.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HeDkcJMv0L
Name 2,10-diketo-1-(3-thenyl)azecane-3-carboxylic acid allyl ester
Alternate Name(s) 2,10-dioxo-1-(3-thiophenylmethyl)-3-azecanecarboxylic acid prop-2-enyl ester Allyl 2,10-dioxo-1-(3-thienylmethyl)azecane-3-carboxylate Prop-2-enyl 2,10-bis(oxidanylidene)-1-(thiophen-3-ylmethyl)azecane-3-carboxylate Prop-2-enyl 2,10-dioxo-1-(thiophen-3-ylmethyl)azecane-3-carboxylate
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Formula C18H23NO4S
InChI InChI=1S/C18H23NO4S/c1-2-10-23-18(22)15-7-5-3-4-6-8-16(20)19(17(15)21)12-14-9-11-24-13-14/h2,9,11,13,15H,1,3-8,10,12H2
InChIKey XBHYQMIOJFNAGK-UHFFFAOYSA-N
Molecular Weight 349.445 g/mol
SMILES C1(N(C(CCCCCCC1C(=O)OCC=C)=O)Cc1cscc1)=O
SPLASH splash10-03dj-7903000000-61440bc7a494ec5bfce9
Source of Spectrum F-56-7208-15
Wiley ID 858282