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Bis(6-hexadecyl-2-azulenyl)acetylene

View entire compound with spectra: 2 MS (GC)

Bis(6-hexadecyl-2-azulenyl)acetylene
SpectraBase Compound ID 12zzpjp4mtA
InChI InChI=1S/C54H78/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-47-35-39-51-43-49(44-52(51)40-36-47)33-34-50-45-53-41-37-48(38-42-54(53)46-50)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-46H,3-32H2,1-2H3
InChIKey YKBOOBCPKXLIRA-UHFFFAOYSA-N
Mol Weight 727.2 g/mol
Molecular Formula C54H78
Exact Mass 726.610353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60yBtGaMvTo
Name Bis(6-hexadecyl-2-azulenyl)acetylene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H78
InChI InChI=1S/C54H78/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-47-35-39-51-43-49(44-52(51)40-36-47)33-34-50-45-53-41-37-48(38-42-54(53)46-50)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-46H,3-32H2,1-2H3
InChIKey YKBOOBCPKXLIRA-UHFFFAOYSA-N
Molecular Weight 727.218 g/mol
SMILES c12c(cc(c2)C#Cc2cc3ccc(CCCCCCCCCCCCCCCC)ccc3c2)ccc(cc1)CCCCCCCCCCCCCCCC
SPLASH splash10-004i-0000000900-8119eed548ae7918d230
Source of Spectrum F-66-8311-2b
Wiley ID 1684155