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Sesterbrasiliatriene

View entire compound with spectra: 1 MS (GC)

Sesterbrasiliatriene
SpectraBase Compound ID J9I9HeQAkSV
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/h9,13,17,21-24H,4,7-8,10-12,14-16H2,1-3,5-6H3/b18-13+,20-9+/t21-,22-,23-,24-,25-/m0/s1
InChIKey ZGLMPVADMJIUAA-JAYJWWGVSA-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 JM2Fb4GGL4x
Name Sesterbrasiliatriene
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40
GC Column Restek Rtx-5MS glass (0.25 mm ?? 30 m, film thickness 0.25 micrometer)
GC Oven Program Oven temp 330oC
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/h9,13,17,21-24H,4,7-8,10-12,14-16H2,1-3,5-6H3/b18-13+,20-9+/t21-,22-,23-,24-,25-/m0/s1
InChIKey ZGLMPVADMJIUAA-JAYJWWGVSA-N
Instrument Name Shimadzu GCMS-QP2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/chem.201702766
Molecular Weight 340.595 g/mol
Quality 869
SMILES C1(CC[C@@]2([C@]1(CC\C(C)=C\C[C@@]1([C@@](C\C=C\2C)([C@@](CC1)(C(C)C)[H])[H])C)[H])[H])=C
SPLASH splash10-05qc-9600000000-5a2927c4819a5a1b42e3
Source of Spectrum QE-23-SM5-1 (DOI: 10.1002/chem.201702766)
Wiley ID 1909345