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7-Bromo-2,3,4-tris(decyloxy)-9-methylphenanthrene
SpectraBase Compound ID H6ZsQIwvXez
InChI InChI=1S/C45H71BrO3/c1-5-8-11-14-17-20-23-26-31-47-42-35-38-34-37(4)41-36-39(46)29-30-40(41)43(38)45(49-33-28-25-22-19-16-13-10-7-3)44(42)48-32-27-24-21-18-15-12-9-6-2/h29-30,34-36H,5-28,31-33H2,1-4H3
InChIKey FVMDKGWGQVONNA-UHFFFAOYSA-N
Mol Weight 740.0 g/mol
Molecular Formula C45H71BrO3
Exact Mass 738.458659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sumk0Cnk94
Name 7-Bromo-2,3,4-tris(decyloxy)-9-methylphenanthrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H71BrO3
InChI InChI=1S/C45H71BrO3/c1-5-8-11-14-17-20-23-26-31-47-42-35-38-34-37(4)41-36-39(46)29-30-40(41)43(38)45(49-33-28-25-22-19-16-13-10-7-3)44(42)48-32-27-24-21-18-15-12-9-6-2/h29-30,34-36H,5-28,31-33H2,1-4H3
InChIKey FVMDKGWGQVONNA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19941270925
Molecular Weight 739.964 g/mol
SMILES c1c(c(c(c2c3ccc(cc3c(cc12)C)Br)OCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC
SPLASH splash10-052f-9002100600-970a24904b0b0695b64d
Source of Spectrum K-127-1742-13e
Wiley ID 1792415