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2-Undecyl-2,3-dihydrobenzopyran-6-carboxylic Acid 4'-(Dodecyloxy)biphenyl-4-yl Ester
SpectraBase Compound ID 9abHPQO83d3
InChI InChI=1S/C45H64O4/c1-3-5-7-9-11-13-15-17-19-21-35-47-41-29-23-37(24-30-41)38-25-31-43(32-26-38)49-45(46)40-28-34-44-39(36-40)27-33-42(48-44)22-20-18-16-14-12-10-8-6-4-2/h23-26,28-32,34,36,42H,3-22,27,33,35H2,1-2H3
InChIKey LUPGNXLPIGJWMW-UHFFFAOYSA-N
Mol Weight 669.0 g/mol
Molecular Formula C45H64O4
Exact Mass 668.480461 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APFIU3vFPFM
Name 2-Undecyl-2,3-dihydrobenzopyran-6-carboxylic Acid 4'-(Dodecyloxy)biphenyl-4-yl Ester
Alternate Name(s) 2-Undecyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid[4-(4-dodecoxyphenyl)phenyl]ester 2-Undecylchroman-6-carboxylic acid[4-(4-lauryloxyphenyl)phenyl]ester 4'-(dodecyloxy)[1,1'-biphenyl]-4-yl 2-undecyl-6-chromanecarboxylate [4-(4-dodecoxyphenyl)phenyl]2-undecyl-3,4-dihydro-2H-chromene-6-carboxylate [4-(4-dodecoxyphenyl)phenyl]2-undecylchromane-6-carboxylate 2-Undecyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid [4-(4-dodecoxyphenyl)phenyl] ester [4-(4-dodecoxyphenyl)phenyl] 2-undecylchromane-6-carboxylate [4-(4-dodecoxyphenyl)phenyl] 2-undecyl-3,4-dihydro-2H-chromene-6-carboxylate
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Formula C45H64O4
InChI InChI=1S/C45H64O4/c1-3-5-7-9-11-13-15-17-19-21-35-47-41-29-23-37(24-30-41)38-25-31-43(32-26-38)49-45(46)40-28-34-44-39(36-40)27-33-42(48-44)22-20-18-16-14-12-10-8-6-4-2/h23-26,28-32,34,36,42H,3-22,27,33,35H2,1-2H3
InChIKey LUPGNXLPIGJWMW-UHFFFAOYSA-N
Molecular Weight 669.003 g/mol
SMILES C(c1cc2CCC(Oc2cc1)CCCCCCCCCCC)(Oc1ccc(cc1)-c1ccc(cc1)OCCCCCCCCCCCC)=O
SPLASH splash10-014i-0009000000-93437071a32d60a36b70
Source of Spectrum J-59-5935-7
Wiley ID 1413877