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1,2,3-Tri(dodec-1-ynyl)-5-nitrobenzene

View entire compound with spectra: 1 MS (GC)

1,2,3-Tri(dodec-1-ynyl)-5-nitrobenzene
SpectraBase Compound ID CkmWdVF5IeC
InChI InChI=1S/C42H65NO2/c1-4-7-10-13-16-19-22-25-28-31-34-39-37-41(43(44)45)38-40(35-32-29-26-23-20-17-14-11-8-5-2)42(39)36-33-30-27-24-21-18-15-12-9-6-3/h37-38H,4-30H2,1-3H3
InChIKey DDEYFPGAFAKRBZ-UHFFFAOYSA-N
Mol Weight 616.0 g/mol
Molecular Formula C42H65NO2
Exact Mass 615.50153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIQURWYak1S
Name 1,2,3-Tri(dodec-1-ynyl)-5-nitrobenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H65NO2
InChI InChI=1S/C42H65NO2/c1-4-7-10-13-16-19-22-25-28-31-34-39-37-41(43(44)45)38-40(35-32-29-26-23-20-17-14-11-8-5-2)42(39)36-33-30-27-24-21-18-15-12-9-6-3/h37-38H,4-30H2,1-3H3
InChIKey DDEYFPGAFAKRBZ-UHFFFAOYSA-N
Molecular Weight 615.987 g/mol
SMILES c1(N(=O)=O)cc(c(C#CCCCCCCCCCC)c(c1)C#CCCCCCCCCCC)C#CCCCCCCCCCC
SPLASH splash10-05mo-9002211000-fd73e641d66b22f70c4c
Source of Spectrum U1-2009-2573-20
Wiley ID 1663046