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2-(Methoxycarbonyl)cycloheptatrienone
SpectraBase Compound ID 1WXGJ1S94RH
InChI InChI=1S/C9H8O3/c1-12-9(11)7-5-3-2-4-6-8(7)10/h2-6H,1H3
InChIKey LHNAQEXSJHISJD-UHFFFAOYSA-N
Mol Weight 164.16 g/mol
Molecular Formula C9H8O3
Exact Mass 164.047344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1SRFayPjRA
Name 2-(Methoxycarbonyl)cycloheptatrienone
Alternate Name(s) Methyl 7-oxo-1,3,5-cycloheptatriene-1-carboxylate
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Formula C9H8O3
InChI InChI=1S/C9H8O3/c1-12-9(11)7-5-3-2-4-6-8(7)10/h2-6H,1H3
InChIKey LHNAQEXSJHISJD-UHFFFAOYSA-N
Molecular Weight 164.160 g/mol
SMILES C=1(C(=O)OC)C(C=CC=CC1)=O
SPLASH splash10-0a6r-5900000000-b4abe75a4934f639170e
Source of Spectrum C-108-6712-8
Wiley ID 1160092