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Methyl 3-Cyano-2,4-(oxybutoxybutoxybutoxy)-1,3-azulene-1-carboxylate

View entire compound with spectra: 1 MS (GC)

Methyl 3-Cyano-2,4-(oxybutoxybutoxybutoxy)-1,3-azulene-1-carboxylate
SpectraBase Compound ID LRBOBzMW4Fp
InChI InChI=1S/C25H31NO6/c1-28-25(27)23-19-10-2-3-11-21-22(19)20(18-26)24(23)32-17-9-7-15-30-13-5-4-12-29-14-6-8-16-31-21/h2-3,10-11H,4-9,12-17H2,1H3
InChIKey JPNFIWYSELSMON-UHFFFAOYSA-N
Mol Weight 441.52 g/mol
Molecular Formula C25H31NO6
Exact Mass 441.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48MHl8wuQZV
Name Methyl 3-Cyano-2,4-(oxybutoxybutoxybutoxy)-1,3-azulene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31NO6
InChI InChI=1S/C25H31NO6/c1-28-25(27)23-19-10-2-3-11-21-22(19)20(18-26)24(23)32-17-9-7-15-30-13-5-4-12-29-14-6-8-16-31-21/h2-3,10-11H,4-9,12-17H2,1H3
InChIKey JPNFIWYSELSMON-UHFFFAOYSA-N
Molecular Weight 441.524 g/mol
SMILES c1(c2c(C#N)c3c1ccccc3OCCCCOCCCCOCCCCO2)C(=O)OC
SPLASH splash10-02c2-0390000000-e00241bfb6b964695674
Source of Spectrum J-63-3369-5
Wiley ID 1385087