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1-(2-benzoxy-6-hydroxy-phenyl)-3-hydroxy-9-(4-methoxyphenyl)nonan-1-one
SpectraBase Compound ID 19rXhOJJBDh
InChI InChI=1S/C29H34O5/c1-33-25-18-16-22(17-19-25)10-5-2-3-8-13-24(30)20-27(32)29-26(31)14-9-15-28(29)34-21-23-11-6-4-7-12-23/h4,6-7,9,11-12,14-19,24,30-31H,2-3,5,8,10,13,20-21H2,1H3
InChIKey QNAUGCXYUDGMRV-UHFFFAOYSA-N
Mol Weight 462.6 g/mol
Molecular Formula C29H34O5
Exact Mass 462.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJ7TposPjN1
Name 1-(2-benzoxy-6-hydroxy-phenyl)-3-hydroxy-9-(4-methoxyphenyl)nonan-1-one
Alternate Name(s) 3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-9-(4-methoxyphenyl)-1-nonanone 3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-9-(4-methoxyphenyl)nonan-1-one 9-(4-methoxyphenyl)-3-oxidanyl-1-(2-oxidanyl-6-phenylmethoxy-phenyl)nonan-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C29H34O5
InChI InChI=1S/C29H34O5/c1-33-25-18-16-22(17-19-25)10-5-2-3-8-13-24(30)20-27(32)29-26(31)14-9-15-28(29)34-21-23-11-6-4-7-12-23/h4,6-7,9,11-12,14-19,24,30-31H,2-3,5,8,10,13,20-21H2,1H3
InChIKey QNAUGCXYUDGMRV-UHFFFAOYSA-N
Molecular Weight 462.586 g/mol
SMILES OC(CC(c1c(cccc1OCc1ccccc1)O)=O)CCCCCCc1ccc(cc1)OC
SPLASH splash10-00di-0900000000-5f45bfb41c1ee2a2946a
Source of Spectrum E1-39-21-16
Wiley ID 1518661