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[G1]-OBn (5-Benzyl-1,3-bis[(4-tert-butylphenoxy)propoxy]benzene)
SpectraBase Compound ID 7iFPhXKLeXF
InChI InChI=1S/C39H48O5/c1-38(2,3)31-14-18-33(19-15-31)40-22-10-24-42-35-26-36(28-37(27-35)44-29-30-12-8-7-9-13-30)43-25-11-23-41-34-20-16-32(17-21-34)39(4,5)6/h7-9,12-21,26-28H,10-11,22-25,29H2,1-6H3
InChIKey NIVBFPBPWXJZGC-UHFFFAOYSA-N
Mol Weight 596.8 g/mol
Molecular Formula C39H48O5
Exact Mass 596.350175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BEaSKZ5Ac0u
Name [G1]-OBn (5-Benzyl-1,3-bis[(4-tert-butylphenoxy)propoxy]benzene)
Alternate Name(s) 1-(benzyloxy)-3,5-bis[3-(4-tert-butylphenoxy)propoxy]benzene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H48O5
InChI InChI=1S/C39H48O5/c1-38(2,3)31-14-18-33(19-15-31)40-22-10-24-42-35-26-36(28-37(27-35)44-29-30-12-8-7-9-13-30)43-25-11-23-41-34-20-16-32(17-21-34)39(4,5)6/h7-9,12-21,26-28H,10-11,22-25,29H2,1-6H3
InChIKey NIVBFPBPWXJZGC-UHFFFAOYSA-N
Molecular Weight 596.808 g/mol
SMILES C(c1ccc(cc1)OCCCOc1cc(OCc2ccccc2)cc(c1)OCCCOc1ccc(C(C)(C)C)cc1)(C)(C)C
SPLASH splash10-0006-9000000000-45e1669e25ec1f29560c
Source of Spectrum F-52-4287-7
Wiley ID 796071