1,2,3-tridodecoxy-5-[(E)-2-phenylethenyl]benzene

SpectraBase Compound ID	Fo6u4esQBKO
InChI	InChI=1S/C50H84O3/c1-4-7-10-13-16-19-22-25-28-34-41-51-48-44-47(40-39-46-37-32-31-33-38-46)45-49(52-42-35-29-26-23-20-17-14-11-8-5-2)50(48)53-43-36-30-27-24-21-18-15-12-9-6-3/h31-33,37-40,44-45H,4-30,34-36,41-43H2,1-3H3/b40-39+
InChIKey	IKLUHVUTQIHRNC-XQQUEIPISA-N Google Search
Mol Weight	733.2 g/mol
Molecular Formula	C50H84O3
Exact Mass	732.642047 g/mol

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SpectraBase Spectrum ID	BEeTtA2SEvo
Name	1,2,3-tridodecoxy-5-[(E)-2-phenylethenyl]benzene
Alternate Name(s)	1,2,3-tridodecoxy-5-[(E)-styryl]benzene 1,2,3-trilauryloxy-5-[(E)-styryl]benzene
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C50H84O3
InChI	InChI=1S/C50H84O3/c1-4-7-10-13-16-19-22-25-28-34-41-51-48-44-47(40-39-46-37-32-31-33-38-46)45-49(52-42-35-29-26-23-20-17-14-11-8-5-2)50(48)53-43-36-30-27-24-21-18-15-12-9-6-3/h31-33,37-40,44-45H,4-30,34-36,41-43H2,1-3H3/b40-39+
InChIKey	IKLUHVUTQIHRNC-XQQUEIPISA-N
Molecular Weight	733.219 g/mol
SMILES	c1(c(cc(\C=C\c2ccccc2)cc1OCCCCCCCCCCCC)OCCCCCCCCCCCC)OCCCCCCCCCCCC
SPLASH	splash10-001i-0000010900-07eba9ee6d88047eff92
Source of Spectrum	J-62-4824-3
Wiley ID	1415964