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2-Ethynyl-6-hexadecylazulene

View entire compound with spectra: 1 MS (GC)

2-Ethynyl-6-hexadecylazulene
SpectraBase Compound ID BBbDODBarvj
InChI InChI=1S/C28H40/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21-27-23-25(4-2)24-28(27)22-20-26/h2,19-24H,3,5-18H2,1H3
InChIKey CLKKKFMONNROMY-UHFFFAOYSA-N
Mol Weight 376.6 g/mol
Molecular Formula C28H40
Exact Mass 376.313001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8y6MW2T8XEI
Name 2-Ethynyl-6-hexadecylazulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40
InChI InChI=1S/C28H40/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21-27-23-25(4-2)24-28(27)22-20-26/h2,19-24H,3,5-18H2,1H3
InChIKey CLKKKFMONNROMY-UHFFFAOYSA-N
Molecular Weight 376.628 g/mol
SMILES c12c(cc(c2)C#C)ccc(cc1)CCCCCCCCCCCCCCCC
SPLASH splash10-004i-0009000000-a3b1420702d2b057cd88
Source of Spectrum F-66-8311-12
Wiley ID 1684724