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tert-Butyl 2-[4,4-bis(3-phenylpropoxymethyl)cyclopent-1-enyl]-4-phenylbutyrate
SpectraBase Compound ID 9JNH3yPmigs
InChI InChI=1S/C39H50O4/c1-38(2,3)43-37(40)36(24-23-34-19-11-6-12-20-34)35-25-26-39(29-35,30-41-27-13-21-32-15-7-4-8-16-32)31-42-28-14-22-33-17-9-5-10-18-33/h4-12,15-20,25,36H,13-14,21-24,26-31H2,1-3H3
InChIKey JZCXISHWLFKYCW-UHFFFAOYSA-N
Mol Weight 582.8 g/mol
Molecular Formula C39H50O4
Exact Mass 582.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AA2WY86hZvo
Name tert-Butyl 2-[4,4-bis(3-phenylpropoxymethyl)cyclopent-1-enyl]-4-phenylbutyrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H50O4
InChI InChI=1S/C39H50O4/c1-38(2,3)43-37(40)36(24-23-34-19-11-6-12-20-34)35-25-26-39(29-35,30-41-27-13-21-32-15-7-4-8-16-32)31-42-28-14-22-33-17-9-5-10-18-33/h4-12,15-20,25,36H,13-14,21-24,26-31H2,1-3H3
InChIKey JZCXISHWLFKYCW-UHFFFAOYSA-N
Molecular Weight 582.825 g/mol
SMILES C1(C(C(OC(C)(C)C)=O)CCc2ccccc2)=CCC(C1)(COCCCc1ccccc1)COCCCc1ccccc1
SPLASH splash10-0f6x-7931000000-e927f8a8acb88386b03e
Source of Spectrum F-67-1109-15e
Wiley ID 1685743