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tert-Butyl[3,3-bis(3-phenylpropoxymethyl)bicyclo[2.1.0]pent-1-yl]-N,N-dibenzylaminoacetate
SpectraBase Compound ID DGXib0cFdmK
InChI InChI=1S/C45H55NO4/c1-43(2,3)50-42(47)41(46(31-38-22-12-6-13-23-38)32-39-24-14-7-15-25-39)45-30-40(45)44(33-45,34-48-28-16-26-36-18-8-4-9-19-36)35-49-29-17-27-37-20-10-5-11-21-37/h4-15,18-25,40-41H,16-17,26-35H2,1-3H3
InChIKey DUXQZIYOPFNCGS-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 GeOHyNRlJIk
Name tert-Butyl[3,3-bis(3-phenylpropoxymethyl)bicyclo[2.1.0]pent-1-yl]-N,N-dibenzylaminoacetate
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Formula C45H55NO4
InChI InChI=1S/C45H55NO4/c1-43(2,3)50-42(47)41(46(31-38-22-12-6-13-23-38)32-39-24-14-7-15-25-39)45-30-40(45)44(33-45,34-48-28-16-26-36-18-8-4-9-19-36)35-49-29-17-27-37-20-10-5-11-21-37/h4-15,18-25,40-41H,16-17,26-35H2,1-3H3
InChIKey DUXQZIYOPFNCGS-UHFFFAOYSA-N
Molecular Weight 673.938 g/mol
SMILES C12(C(C2)C(C1)(COCCCc1ccccc1)COCCCc1ccccc1)C(C(OC(C)(C)C)=O)N(Cc1ccccc1)Cc1ccccc1
SPLASH splash10-00dl-6030090000-a94aea7bb2848ba2328a
Source of Spectrum F-67-1111-38b
Wiley ID 1685728