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Diethyl 2-Methoxy-6-octylazulene-1,3-dicarboxylate
SpectraBase Compound ID 1917R7QYMhw
InChI InChI=1S/C25H34O5/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,5-13H2,1-4H3
InChIKey ISYPZNQFXCOUMS-UHFFFAOYSA-N
Mol Weight 414.5 g/mol
Molecular Formula C25H34O5
Exact Mass 414.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FtPI0x8wlL4
Name Diethyl 2-Methoxy-6-octylazulene-1,3-dicarboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O5
InChI InChI=1S/C25H34O5/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,5-13H2,1-4H3
InChIKey ISYPZNQFXCOUMS-UHFFFAOYSA-N
Molecular Weight 414.542 g/mol
SMILES c1(c(c(c2ccc(ccc12)CCCCCCCC)C(=O)OCC)OC)C(=O)OCC
SPLASH splash10-03xr-0001900000-f2fa16162f64c738cd1f
Source of Spectrum F-70-3947-11
Synonyms 2-methoxy-6-octyl-azulene-1,3-dicarboxylic acid diethyl ester 2-methoxy-6-octylazulene-1,3-dicarboxylic acid diethyl ester
Wiley ID 1596883