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Dimethyl 5-[3-(2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)-4,5-dihydro-1H-pyrazol-1-yl]isophthalate
SpectraBase Compound ID JNznXK76TYM
InChI InChI=1S/C29H36N2O10/c1-34-28(32)22-17-23(29(33)35-2)19-24(18-22)31-6-5-25(30-31)21-3-4-26-27(20-21)41-16-14-39-12-10-37-8-7-36-9-11-38-13-15-40-26/h3-4,17-20H,5-16H2,1-2H3
InChIKey BQWLSFSXTCPGNS-UHFFFAOYSA-N
Mol Weight 572.6 g/mol
Molecular Formula C29H36N2O10
Exact Mass 572.236995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0gb9peppiR
Name Dimethyl 5-[3-(2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)-4,5-dihydro-1H-pyrazol-1-yl]isophthalate
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Formula C29H36N2O10
InChI InChI=1S/C29H36N2O10/c1-34-28(32)22-17-23(29(33)35-2)19-24(18-22)31-6-5-25(30-31)21-3-4-26-27(20-21)41-16-14-39-12-10-37-8-7-36-9-11-38-13-15-40-26/h3-4,17-20H,5-16H2,1-2H3
InChIKey BQWLSFSXTCPGNS-UHFFFAOYSA-N
Molecular Weight 572.611 g/mol
SMILES c1(N2N=C(CC2)c2cc3OCCOCCOCCOCCOCCOc3cc2)cc(C(=O)OC)cc(c1)C(=O)OC
SPLASH splash10-00di-0004090000-93f5ed92ef47c72bf42a
Source of Spectrum F-55-5220-11
Wiley ID 837848