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1-Heneicosyl-3,5-bis(benzoyloxy)benzene
SpectraBase Compound ID Kt5EMDUMpBu
InChI InChI=1S/C41H56O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27-35-32-38(44-40(42)36-28-23-20-24-29-36)34-39(33-35)45-41(43)37-30-25-21-26-31-37/h20-21,23-26,28-34H,2-19,22,27H2,1H3
InChIKey BDHFCRJMJMFGLA-UHFFFAOYSA-N
Mol Weight 612.9 g/mol
Molecular Formula C41H56O4
Exact Mass 612.41786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6m9557L90pG
Name 1-Heneicosyl-3,5-bis(benzoyloxy)benzene
Alternate Name(s) 3-(benzoyloxy)-5-henicosylphenyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H56O4
InChI InChI=1S/C41H56O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27-35-32-38(44-40(42)36-28-23-20-24-29-36)34-39(33-35)45-41(43)37-30-25-21-26-31-37/h20-21,23-26,28-34H,2-19,22,27H2,1H3
InChIKey BDHFCRJMJMFGLA-UHFFFAOYSA-N
Molecular Weight 612.895 g/mol
SMILES c1(cc(cc(c1)OC(c1ccccc1)=O)OC(c1ccccc1)=O)CCCCCCCCCCCCCCCCCCCCC
SPLASH splash10-0bt9-0900025000-b3643f137e4137241b5b
Source of Spectrum X4-13-415-0
Wiley ID 1585171