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3-(t-Butyl)-5-formyl-4-hydroxyphenyl Cyclooct-4'-ene-1-carboxylate
SpectraBase Compound ID 91XtN3FO2oc
InChI InChI=1S/C20H26O4/c1-20(2,3)17-12-16(11-15(13-21)18(17)22)24-19(23)14-9-7-5-4-6-8-10-14/h4-5,11-14,22H,6-10H2,1-3H3/b5-4-
InChIKey HTKSYESYFPIXPQ-PLNGDYQASA-N
Mol Weight 330.42 g/mol
Molecular Formula C20H26O4
Exact Mass 330.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XmZ3jBmAML
Name 3-(t-Butyl)-5-formyl-4-hydroxyphenyl Cyclooct-4'-ene-1-carboxylate
Alternate Name(s) (4Z)-1-cyclooct-4-enecarboxylic acid (3-tert-butyl-5-formyl-4-hydroxyphenyl) ester (3-tert-butyl-5-formyl-4-hydroxyphenyl) (4Z)-cyclooct-4-ene-1-carboxylate (3-tert-butyl-5-formyl-4-hydroxy-phenyl) (4Z)-cyclooct-4-ene-1-carboxylate (3-tert-butyl-5-methanoyl-4-oxidanyl-phenyl) (4Z)-cyclooct-4-ene-1-carboxylate
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Formula C20H26O4
InChI InChI=1S/C20H26O4/c1-20(2,3)17-12-16(11-15(13-21)18(17)22)24-19(23)14-9-7-5-4-6-8-10-14/h4-5,11-14,22H,6-10H2,1-3H3/b5-4-
InChIKey HTKSYESYFPIXPQ-PLNGDYQASA-N
Molecular Weight 330.424 g/mol
SMILES Oc1c(C(C)(C)C)cc(OC(=O)C2CC\C=C/CCC2)cc1C=O
SPLASH splash10-0006-0901000000-0d29cf463c862793d119
Source of Spectrum C-129-1111-5
Wiley ID 1701922