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1-(2- furyl)pentacosa-7,9-diyne
SpectraBase Compound ID HQmZJd5xXYM
InChI InChI=1S/C29H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29-27-25-28-30-29/h25,27-28H,2-15,20-24,26H2,1H3
InChIKey CFDYKDGPKQJVMH-UHFFFAOYSA-N
Mol Weight 410.7 g/mol
Molecular Formula C29H46O
Exact Mass 410.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVDdeBr5ELk
Name 1-(2- furyl)pentacosa-7,9-diyne
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O
InChI InChI=1S/C29H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29-27-25-28-30-29/h25,27-28H,2-15,20-24,26H2,1H3
InChIKey CFDYKDGPKQJVMH-UHFFFAOYSA-N
Instrument Name Finnigan Mat INCOS 50 or Bruker-HP ESQUIRE-LC
Ionization Type EI
Literature Reference DOI 10.1021/np0503202
Molecular Weight 410.686 g/mol
Reported Formula C29H46O
SMILES c1oc(cc1)CCCCCCC#CC#CCCCCCCCCCCCCCCC
SPLASH splash10-000x-9712000000-2aa6e464be2eeb2e1f14
Source of Spectrum G4-69-SM2-3
Thin-Layer Chromatography Rf = 0.44 (hexane), 0.98 (CH2Cl2/hexane, 40:60)
Wiley ID 1873917