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bis[4-(3,4,5-tricetyloxyphenoxy)phenyl]methanone
SpectraBase Compound ID 6eVZOLwWCG9
InChI InChI=1S/C121H210O9/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-99-123-115-105-113(106-116(124-100-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)120(115)127-103-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)129-111-95-91-109(92-96-111)119(122)110-93-97-112(98-94-110)130-114-107-117(125-101-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)121(128-104-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)118(108-114)126-102-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4/h91-98,105-108H,7-90,99-104H2,1-6H3
InChIKey GGCCZNKQGIHVFV-UHFFFAOYSA-N
Mol Weight 1809.0 g/mol
Molecular Formula C121H210O9
Exact Mass 1807.597488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICbpYLapxe5
Name bis[4-(3,4,5-tricetyloxyphenoxy)phenyl]methanone
Alternate Name(s) bis[4-(3,4,5-trihexadecoxyphenoxy)phenyl]methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C121H210O9
InChI InChI=1S/C121H210O9/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-99-123-115-105-113(106-116(124-100-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)120(115)127-103-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)129-111-95-91-109(92-96-111)119(122)110-93-97-112(98-94-110)130-114-107-117(125-101-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)121(128-104-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)118(108-114)126-102-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4/h91-98,105-108H,7-90,99-104H2,1-6H3
InChIKey GGCCZNKQGIHVFV-UHFFFAOYSA-N
Molecular Weight 1809.002 g/mol
SMILES c1(c(cc(Oc2ccc(C(c3ccc(Oc4cc(OCCCCCCCCCCCCCCCC)c(c(c4)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)cc3)=O)cc2)cc1OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC
SPLASH splash10-0a4i-9100000000-69ec83ae625de8510d7a
Source of Spectrum K1-2003-2835-8
Wiley ID 1521364