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3-Benzoyloxy-2-undecyl-tricyclo[7.5.2.1(5,8).0(4,9)]deca-1,6-diene.
SpectraBase Compound ID CCdBhmjr7HX
InChI InChI=1S/C28H38O2/c1-2-3-4-5-6-7-8-9-11-16-24-20-25-22-17-18-23(19-22)26(25)27(24)30-28(29)21-14-12-10-13-15-21/h10,12-15,17-18,20,22-23,25-27H,2-9,11,16,19H2,1H3/t22-,23+,25+,26-,27-/m1/s1
InChIKey CQCQKQHPUWFCNZ-BDYXOVRASA-N
Mol Weight 406.6 g/mol
Molecular Formula C28H38O2
Exact Mass 406.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9RqiMjEGXCD
Name 3-Benzoyloxy-2-undecyl-tricyclo[7.5.2.1(5,8).0(4,9)]deca-1,6-diene.
Comments Less than 3 mono-isotopic peaks
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Formula C28H38O2
InChI InChI=1S/C28H38O2/c1-2-3-4-5-6-7-8-9-11-16-24-20-25-22-17-18-23(19-22)26(25)27(24)30-28(29)21-14-12-10-13-15-21/h10,12-15,17-18,20,22-23,25-27H,2-9,11,16,19H2,1H3/t22-,23+,25+,26-,27-/m1/s1
InChIKey CQCQKQHPUWFCNZ-BDYXOVRASA-N
Molecular Weight 406.610 g/mol
SMILES [C@]1([C@]2([C@]([C@]3(C[C@@]2(C=C3)[H])[H])(C=C1CCCCCCCCCCC)[H])[H])(OC(=O)c1ccccc1)[H]
SPLASH splash10-0a4i-0900000000-0cd933a61907f887efe4
Source of Spectrum D1-2000-1020-8
Synonyms (S)-3-Benzoyloxy-2-undecyl-tricyclo[7.5.2.1(5,8).0(4,9)]deca-1,6-diene. 4-undecyltricyclo[5.2.1.0(2,6)]deca-4,8-dien-3-yl benzoate
Wiley ID 835422