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nonacyclo[12.8.1.1(4,11).1(17,20).0(2,13).0(3,12).0(5,10).0(15,22).0(16,21)]pentacosan-5,7,9,18-tetraene
SpectraBase Compound ID 9CZNQmawB5A
InChI InChI=1S/C25H26/c1-2-4-13-12(3-1)14-8-15(13)21-20(14)24-16-9-17(25(21)24)23-19-11-6-5-10(7-11)18(19)22(16)23/h1-6,10-11,14-25H,7-9H2/t10-,11+,14-,15+,16-,17+,18-,19-,20-,21-,22-,23+,24?,25?/m1/s1
InChIKey NUTCDYYNEQEWMK-PPXPZZBYSA-N
Mol Weight 326.48 g/mol
Molecular Formula C25H26
Exact Mass 326.203451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fax3ufPBcNQ
Name nonacyclo[12.8.1.1(4,11).1(17,20).0(2,13).0(3,12).0(5,10).0(15,22).0(16,21)]pentacosan-5,7,9,18-tetraene
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Formula C25H26
InChI InChI=1S/C25H26/c1-2-4-13-12(3-1)14-8-15(13)21-20(14)24-16-9-17(25(21)24)23-19-11-6-5-10(7-11)18(19)22(16)23/h1-6,10-11,14-25H,7-9H2/t10-,11+,14-,15+,16-,17+,18-,19-,20-,21-,22-,23+,24?,25?/m1/s1
InChIKey NUTCDYYNEQEWMK-PPXPZZBYSA-N
Instrument Name VG70-250S
Ionization Type EI
Literature Reference DOI 10.1002/jccs.202100205
Molecular Weight 326.483 g/mol
SMILES C=1[C@]2(C[C@@](C1)([C@]1([C@@]3([C@@]([C@]4(C5[C@@]6([C@]7(C[C@](c8c7cccc8)([C@]6(C5[C@@]3(C4)[H])[H])[H])[H])[H])[H])([C@]21[H])[H])[H])[H])[H])[H]
SPLASH splash10-016u-0924000000-386e9ca1b38c22e93f24
Source of Spectrum QA-68-2219-NB12
Wiley ID 1871879