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tert-Butyl[4,4-bis(3-phenylpropoxymethyl)cyclopent-1-enyl]-N,N-dibenzylaminoacetate
SpectraBase Compound ID Fys9IKVNLbZ
InChI InChI=1S/C45H55NO4/c1-44(2,3)50-43(47)42(46(33-39-22-12-6-13-23-39)34-40-24-14-7-15-25-40)41-28-29-45(32-41,35-48-30-16-26-37-18-8-4-9-19-37)36-49-31-17-27-38-20-10-5-11-21-38/h4-15,18-25,28,42H,16-17,26-27,29-36H2,1-3H3
InChIKey BIXKKDDZFFWUDQ-UHFFFAOYSA-N
Mol Weight 673.9 g/mol
Molecular Formula C45H55NO4
Exact Mass 673.413109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26I2tlgVAao
Name tert-Butyl[4,4-bis(3-phenylpropoxymethyl)cyclopent-1-enyl]-N,N-dibenzylaminoacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H55NO4
InChI InChI=1S/C45H55NO4/c1-44(2,3)50-43(47)42(46(33-39-22-12-6-13-23-39)34-40-24-14-7-15-25-40)41-28-29-45(32-41,35-48-30-16-26-37-18-8-4-9-19-37)36-49-31-17-27-38-20-10-5-11-21-38/h4-15,18-25,28,42H,16-17,26-27,29-36H2,1-3H3
InChIKey BIXKKDDZFFWUDQ-UHFFFAOYSA-N
Molecular Weight 673.938 g/mol
SMILES C1(C(C(OC(C)(C)C)=O)N(Cc2ccccc2)Cc2ccccc2)=CCC(C1)(COCCCc1ccccc1)COCCCc1ccccc1
SPLASH splash10-004i-3090000000-2ccd547e4ed2746bc30e
Source of Spectrum F-67-1109-37b
Wiley ID 1685731