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(2E,5S,6S,9R,11E)-2,9,12,16-tetramethyl-6-(propan-2-yl)tricyclo[13.3.0.0(5,9)]octadeca-2,11,15-triene
SpectraBase Compound ID L1AHsx7sczh
InChI InChI=1S/C25H40/c1-17(2)21-14-16-25(6)15-13-18(3)7-10-22-19(4)8-11-23(22)20(5)9-12-24(21)25/h9,13,17,21,23-24H,7-8,10-12,14-16H2,1-6H3/b18-13+,20-9+/t21-,23?,24-,25-/m0/s1
InChIKey XKIZMGBGGHNTGM-IZTRSQFCSA-N
Mol Weight 340.6 g/mol
Molecular Formula C25H40
Exact Mass 340.313001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5noNsJJeAK0
Name (2E,5S,6S,9R,11E)-2,9,12,16-tetramethyl-6-(propan-2-yl)tricyclo[13.3.0.0(5,9)]octadeca-2,11,15-triene
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Formula C25H40
InChI InChI=1S/C25H40/c1-17(2)21-14-16-25(6)15-13-18(3)7-10-22-19(4)8-11-23(22)20(5)9-12-24(21)25/h9,13,17,21,23-24H,7-8,10-12,14-16H2,1-6H3/b18-13+,20-9+/t21-,23?,24-,25-/m0/s1
InChIKey XKIZMGBGGHNTGM-IZTRSQFCSA-N
Instrument Name Varian 450
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.0c03996
Molecular Weight 340.595 g/mol
SMILES C12\C(=C\C[C@@]3([H])[C@](C(C)C)(CC[C@]3(C)C\C=C/(C)CCC1=C(C)CC2)[H])C
SPLASH splash10-0kal-2900000000-08161e5c966998e47a45
Source of Spectrum A1-23-SM14-1
Wiley ID 1865959