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7-Bromo-2,3,4-tris(dodecyloxy)-9-methylphenanthrene
SpectraBase Compound ID IjzPKQ3Io5P
InChI InChI=1S/C51H83BrO3/c1-5-8-11-14-17-20-23-26-29-32-37-53-48-41-44-40-43(4)47-42-45(52)35-36-46(47)49(44)51(55-39-34-31-28-25-22-19-16-13-10-7-3)50(48)54-38-33-30-27-24-21-18-15-12-9-6-2/h35-36,40-42H,5-34,37-39H2,1-4H3
InChIKey FRQHGHBJZYNRNF-UHFFFAOYSA-N
Mol Weight 824.1 g/mol
Molecular Formula C51H83BrO3
Exact Mass 822.55256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7CW0WfcYBD9
Name 7-Bromo-2,3,4-tris(dodecyloxy)-9-methylphenanthrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C51H83BrO3
InChI InChI=1S/C51H83BrO3/c1-5-8-11-14-17-20-23-26-29-32-37-53-48-41-44-40-43(4)47-42-45(52)35-36-46(47)49(44)51(55-39-34-31-28-25-22-19-16-13-10-7-3)50(48)54-38-33-30-27-24-21-18-15-12-9-6-2/h35-36,40-42H,5-34,37-39H2,1-4H3
InChIKey FRQHGHBJZYNRNF-UHFFFAOYSA-N
Molecular Weight 824.126 g/mol
SMILES c1(c2c3c(cc(cc3)Br)c(cc2cc(c1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C)OCCCCCCCCCCCC
SPLASH splash10-0abc-9001000020-3cef486ceab6c9642fd8
Source of Spectrum K-127-1742-13
Wiley ID 1417462