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1,9-Di(n-hexyl)-terrylene
SpectraBase Compound ID 3aip5faokyX
InChI InChI=1S/C42H40/c1-3-5-7-9-15-29-25-35-31-21-11-18-28-20-14-24-34(38(28)31)40-30(16-10-8-6-4-2)26-36-32-22-12-17-27-19-13-23-33(37(27)32)39(29)41(36)42(35)40/h11-14,17-26H,3-10,15-16H2,1-2H3
InChIKey AEDKHDPFECMUNW-UHFFFAOYSA-N
Mol Weight 544.8 g/mol
Molecular Formula C42H40
Exact Mass 544.313001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XK3tPWKcBS
Name 1,9-Di(n-hexyl)-terrylene
CAS Registry Number 143077-00-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H40
InChI InChI=1S/C42H40/c1-3-5-7-9-15-29-25-35-31-21-11-18-28-20-14-24-34(38(28)31)40-30(16-10-8-6-4-2)26-36-32-22-12-17-27-19-13-23-33(37(27)32)39(29)41(36)42(35)40/h11-14,17-26H,3-10,15-16H2,1-2H3
InChIKey AEDKHDPFECMUNW-UHFFFAOYSA-N
Molecular Weight 544.782 g/mol
SMILES c12c3c4c(c5cccc6c5c(c4cc2CCCCCC)ccc6)c(cc3c2c3c1cccc3ccc2)CCCCCC
SPLASH splash10-0007-0000190000-8f98ce71c21d95184d95
Source of Spectrum K-125-2330-11
Synonyms 7,15-dihexyltribenzo[de,kl,rst]pentaphene
Wiley ID 1405135