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cone-17,23-Bis[1-(2,3,4,5,6-pentaphenyl)phenyl)-5,11-bis(phenylethynyl)-25,26,27,28-tetrakis(propyloxy)calix[4]arene
SpectraBase Compound ID 4iGu517mdsm
InChI InChI=1S/C128H104O4/c1-5-73-129-125-105-77-91(71-69-89-45-21-9-22-46-89)78-106(125)86-110-82-104(124-121(101-65-41-19-42-66-101)117(97-57-33-15-34-58-97)114(94-51-27-12-28-52-94)118(98-59-35-16-36-60-98)122(124)102-67-43-20-44-68-102)84-112(128(110)132-76-8-4)88-108-80-92(72-70-90-47-23-10-24-48-90)79-107(126(108)130-74-6-2)87-111-83-103(81-109(85-105)127(111)131-75-7-3)123-119(99-61-37-17-38-62-99)115(95-53-29-13-30-54-95)113(93-49-25-11-26-50-93)116(96-55-31-14-32-56-96)120(123)100-63-39-18-40-64-100/h9-68,77-84H,5-8,73-76,85-88H2,1-4H3
InChIKey FRNJSQAGIYTSKS-UHFFFAOYSA-N
Mol Weight 1706.2 g/mol
Molecular Formula C128H104O4
Exact Mass 1704.793462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dFG4MNeAE9
Name cone-17,23-Bis[1-(2,3,4,5,6-pentaphenyl)phenyl)-5,11-bis(phenylethynyl)-25,26,27,28-tetrakis(propyloxy)calix[4]arene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C128H104O4
InChI InChI=1S/C128H104O4/c1-5-73-129-125-105-77-91(71-69-89-45-21-9-22-46-89)78-106(125)86-110-82-104(124-121(101-65-41-19-42-66-101)117(97-57-33-15-34-58-97)114(94-51-27-12-28-52-94)118(98-59-35-16-36-60-98)122(124)102-67-43-20-44-68-102)84-112(128(110)132-76-8-4)88-108-80-92(72-70-90-47-23-10-24-48-90)79-107(126(108)130-74-6-2)87-111-83-103(81-109(85-105)127(111)131-75-7-3)123-119(99-61-37-17-38-62-99)115(95-53-29-13-30-54-95)113(93-49-25-11-26-50-93)116(96-55-31-14-32-56-96)120(123)100-63-39-18-40-64-100/h9-68,77-84H,5-8,73-76,85-88H2,1-4H3
InChIKey FRNJSQAGIYTSKS-UHFFFAOYSA-N
Molecular Weight 1706.236 g/mol
SMILES c1(c(c(-c2ccccc2)c(c(c1-c1ccccc1)-c1ccccc1)-c1ccccc1)-c1ccccc1)-c1cc2Cc3c(c(Cc4cc(-c5c(c(-c6ccccc6)c(c(c5-c5ccccc5)-c5ccccc5)-c5ccccc5)-c5ccccc5)cc(Cc5c(c(Cc(c1)c2OCCC)cc(C#Cc1ccccc1)c5)OCCC)c4OCCC)cc(C#Cc1ccccc1)c3)OCCC
SPLASH splash10-0006-9000000000-b8da05a86116a22809bd
Source of Spectrum K1-0-4957-8
Wiley ID 1589715