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2-(4-Heptylphenyl)-2,3-dihydrobenzopyran-6-carboxylic Acid 4'-(Dodecyloxy)biphenyl-4-yl Ester
SpectraBase Compound ID 2hQ8xkq5aW6
InChI InChI=1S/C47H60O4/c1-3-5-7-9-10-11-12-13-15-17-35-49-43-29-23-38(24-30-43)39-25-31-44(32-26-39)50-47(48)42-28-34-46-41(36-42)27-33-45(51-46)40-21-19-37(20-22-40)18-16-14-8-6-4-2/h19-26,28-32,34,36,45H,3-18,27,33,35H2,1-2H3
InChIKey XWTHPDBLPIOTEC-UHFFFAOYSA-N
Mol Weight 689.0 g/mol
Molecular Formula C47H60O4
Exact Mass 688.44916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AX8pShwkUJx
Name 2-(4-Heptylphenyl)-2,3-dihydrobenzopyran-6-carboxylic Acid 4'-(Dodecyloxy)biphenyl-4-yl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H60O4
InChI InChI=1S/C47H60O4/c1-3-5-7-9-10-11-12-13-15-17-35-49-43-29-23-38(24-30-43)39-25-31-44(32-26-39)50-47(48)42-28-34-46-41(36-42)27-33-45(51-46)40-21-19-37(20-22-40)18-16-14-8-6-4-2/h19-26,28-32,34,36,45H,3-18,27,33,35H2,1-2H3
InChIKey XWTHPDBLPIOTEC-UHFFFAOYSA-N
Molecular Weight 688.993 g/mol
SMILES c12OC(CCc2cc(C(Oc2ccc(cc2)-c2ccc(cc2)OCCCCCCCCCCCC)=O)cc1)c1ccc(cc1)CCCCCCC
SPLASH splash10-000i-0009000000-a6fcd9f88419112fcdbe
Source of Spectrum J-59-5935-7
Synonyms 4'-(dodecyloxy)[1,1'-biphenyl]-4-yl 2-(4-heptylphenyl)-6-chromanecarboxylate 2-(4-heptylphenyl)-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid [4-(4-dodecoxyphenyl)phenyl] ester [4-(4-dodecoxyphenyl)phenyl] 2-(4-heptylphenyl)chromane-6-carboxylate [4-(4-dodecoxyphenyl)phenyl] 2-(4-heptylphenyl)-3,4-dihydro-2H-chromene-6-carboxylate
Wiley ID 1414635