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Methyl 4-(benzyloxy)-2-(8-hydroxynonyl)-6-methoxybenzoate
SpectraBase Compound ID H277PAXDTQT
InChI InChI=1S/C25H34O5/c1-19(26)12-8-5-4-6-11-15-21-16-22(30-18-20-13-9-7-10-14-20)17-23(28-2)24(21)25(27)29-3/h7,9-10,13-14,16-17,19,26H,4-6,8,11-12,15,18H2,1-3H3
InChIKey ZUKRTTQWMGDXGV-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 4Oec2sqZsx1
Name Methyl 4-(benzyloxy)-2-(8-hydroxynonyl)-6-methoxybenzoate
Alternate Name(s) Benzoic acid, 4-(benzyloxy)-2-(8-hydroxynonyl)-6-methoxy-, methyl ester 2-(8-hydroxynonyl)-6-methoxy-4-phenylmethoxybenzoic acid methyl ester 4-benzoxy-2-(8-hydroxynonyl)-6-methoxy-benzoic acid methyl ester methyl 4-benzyloxy-2-(8-hydroxynonyl)-6-methoxy-benzoate methyl 2-(8-hydroxynonyl)-6-methoxy-4-phenylmethoxybenzoate methyl 2-methoxy-6-(8-oxidanylnonyl)-4-phenylmethoxy-benzoate
CAS Registry Number 65716-50-9
Comments Less than 3 mono-isotopic peaks
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Formula C25H34O5
InChI InChI=1S/C25H34O5/c1-19(26)12-8-5-4-6-11-15-21-16-22(30-18-20-13-9-7-10-14-20)17-23(28-2)24(21)25(27)29-3/h7,9-10,13-14,16-17,19,26H,4-6,8,11-12,15,18H2,1-3H3
InChIKey ZUKRTTQWMGDXGV-UHFFFAOYSA-N
Molecular Weight 414.542 g/mol
SMILES OC(C)CCCCCCCc1cc(OCc2ccccc2)cc(OC)c1C(=O)OC
SPLASH splash10-0006-9000100000-1b839654e9978c55edb2
Source of Spectrum H-60-2870-0
Wiley ID 1375545