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7,13-Bis{4-[1-(3,5-dimethoxycarbonyl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl phenyl}-1,4,10-trioxa-7,13-diazacyclopentadecane

View entire compound with spectra: 1 MS (GC)

7,13-Bis{4-[1-(3,5-dimethoxycarbonyl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl phenyl}-1,4,10-trioxa-7,13-diazacyclopentadecane
SpectraBase Compound ID H340BjDPlzR
InChI InChI=1S/C48H54N6O11/c1-59-45(55)35-26-36(46(56)60-2)30-41(29-35)53-14-12-43(49-53)33-8-10-39(11-9-33)51-16-20-63-21-18-52(19-23-65-25-24-64-22-17-51)40-7-5-6-34(28-40)44-13-15-54(50-44)42-31-37(47(57)61-3)27-38(32-42)48(58)62-4/h5-11,26-32H,12-25H2,1-4H3
InChIKey OGAXEZBBFQBICM-UHFFFAOYSA-N
Mol Weight 891.0 g/mol
Molecular Formula C48H54N6O11
Exact Mass 890.385057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4R5DowDly4
Name 7,13-Bis{4-[1-(3,5-dimethoxycarbonyl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl phenyl}-1,4,10-trioxa-7,13-diazacyclopentadecane
Alternate Name(s) 1,3-Dimethyl 5-(3-{4-[13-(3-{1-[3,5-bis(methoxycarbonyl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}phenyl)-1,4,10-trioxa-7,13-diazacyclopentadecan-7-yl]phenyl}-4,5-dihydro-1H-pyrazol-1-yl)benzene-1,3-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H54N6O11
InChI InChI=1S/C48H54N6O11/c1-59-45(55)35-26-36(46(56)60-2)30-41(29-35)53-14-12-43(49-53)33-8-10-39(11-9-33)51-16-20-63-21-18-52(19-23-65-25-24-64-22-17-51)40-7-5-6-34(28-40)44-13-15-54(50-44)42-31-37(47(57)61-3)27-38(32-42)48(58)62-4/h5-11,26-32H,12-25H2,1-4H3
InChIKey OGAXEZBBFQBICM-UHFFFAOYSA-N
Molecular Weight 890.991 g/mol
SMILES c1(N2N=C(CC2)c2cc(N3CCOCCN(c4ccc(C5=NN(c6cc(C(=O)OC)cc(c6)C(=O)OC)CC5)cc4)CCOCCOCC3)ccc2)cc(C(=O)OC)cc(c1)C(=O)OC
SPLASH splash10-0a4i-0000903030-068b4316bff195d71930
Source of Spectrum F-55-5225-27
Wiley ID 837834