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(2E,4E,6E,8E,10E)-13-[(7aS)-2,2,4,6,6-pentamethyl-7,7a-dihydro-3aH-1,3-benzodioxol-5-yl]-2,7,11-trimethyl-trideca-2,4,6,8,10-pentaen-12-ynal
SpectraBase Compound ID CiDY31640QK
InChI InChI=1S/C28H36O3/c1-20(12-9-10-13-22(3)19-29)14-11-15-21(2)16-17-24-23(4)26-25(18-27(24,5)6)30-28(7,8)31-26/h9-15,19,25-26H,18H2,1-8H3/b10-9+,14-11+,20-12+,21-15+,22-13+/t25-,26?/m0/s1
InChIKey CHIBMUGBWSIMBO-IEUDJVOQSA-N
Mol Weight 420.6 g/mol
Molecular Formula C28H36O3
Exact Mass 420.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVPMOg5WW1w
Name (2E,4E,6E,8E,10E)-13-[(7aS)-2,2,4,6,6-pentamethyl-7,7a-dihydro-3aH-1,3-benzodioxol-5-yl]-2,7,11-trimethyl-trideca-2,4,6,8,10-pentaen-12-ynal
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Formula C28H36O3
InChI InChI=1S/C28H36O3/c1-20(12-9-10-13-22(3)19-29)14-11-15-21(2)16-17-24-23(4)26-25(18-27(24,5)6)30-28(7,8)31-26/h9-15,19,25-26H,18H2,1-8H3/b10-9+,14-11+,20-12+,21-15+,22-13+/t25-,26?/m0/s1
InChIKey CHIBMUGBWSIMBO-IEUDJVOQSA-N
Molecular Weight 420.593 g/mol
SMILES C1(=C(C2OC(C)(C)O[C@]2(CC1(C)C)[H])C)C#C\C(=C\C=C\C(=C\C=C\C=C\(C=O)C)C)C
SPLASH splash10-00dl-7731900000-292f124ec382b37f137f
Source of Spectrum SB-51-1211-27
Wiley ID 1378193