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2-methoxy-6-oct-1-ynyl-azulene-1,3-dicarboxylic acid diethyl ester
SpectraBase Compound ID ILgZfr6vf5n
InChI InChI=1S/C25H30O5/c1-5-8-9-10-11-12-13-18-14-16-19-20(17-15-18)22(25(27)30-7-3)23(28-4)21(19)24(26)29-6-2/h14-17H,5-11H2,1-4H3
InChIKey XETTZCNPLFGYLJ-UHFFFAOYSA-N
Mol Weight 410.51 g/mol
Molecular Formula C25H30O5
Exact Mass 410.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LnjE3DQqChT
Name 2-methoxy-6-oct-1-ynyl-azulene-1,3-dicarboxylic acid diethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C25H30O5
InChI InChI=1S/C25H30O5/c1-5-8-9-10-11-12-13-18-14-16-19-20(17-15-18)22(25(27)30-7-3)23(28-4)21(19)24(26)29-6-2/h14-17H,5-11H2,1-4H3
InChIKey XETTZCNPLFGYLJ-UHFFFAOYSA-N
Molecular Weight 410.510 g/mol
SMILES c1(c(c(c2ccc(ccc12)C#CCCCCCC)C(=O)OCC)OC)C(=O)OCC
SPLASH splash10-03di-0001900000-c9d5095f5de5330988fc
Source of Spectrum F-70-3947-10
Synonyms diethyl 2-methoxy-6-oct-1-ynyl-azulene-1,3-dicarboxylate 2-methoxy-6-oct-1-ynylazulene-1,3-dicarboxylic acid diethyl ester
Wiley ID 1596884