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16,16'-(piperazin-1,4-diilbis(methylen))bis(5,6,8,9,11,12-hexahydro-2H-(1,4,7,10,13) pentaoxa cyclopentadeca (2,3-h)chromen-18(3H)-one

View entire compound with spectra: 1 MS (GC)

16,16'-(piperazin-1,4-diilbis(methylen))bis(5,6,8,9,11,12-hexahydro-2H-(1,4,7,10,13) pentaoxa cyclopentadeca (2,3-h)chromen-18(3H)-one
SpectraBase Compound ID EXPVcGSd3C8
InChI InChI=1S/C40H50N2O14/c43-35-25-29(31-1-3-33-39(37(31)55-35)53-23-19-49-15-11-45-9-13-47-17-21-51-33)27-41-5-7-42(8-6-41)28-30-26-36(44)56-38-32(30)2-4-34-40(38)54-24-20-50-16-12-46-10-14-48-18-22-52-34/h1-4,25-26H,5-24,27-28H2
InChIKey UMRJVAHYBVXUBU-UHFFFAOYSA-N
Mol Weight 782.8 g/mol
Molecular Formula C40H50N2O14
Exact Mass 782.326204 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFoMiNEu6zm
Name 16,16'-(piperazin-1,4-diilbis(methylen))bis(5,6,8,9,11,12-hexahydro-2H-(1,4,7,10,13) pentaoxa cyclopentadeca (2,3-h)chromen-18(3H)-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H50N2O14
InChI InChI=1S/C40H50N2O14/c43-35-25-29(31-1-3-33-39(37(31)55-35)53-23-19-49-15-11-45-9-13-47-17-21-51-33)27-41-5-7-42(8-6-41)28-30-26-36(44)56-38-32(30)2-4-34-40(38)54-24-20-50-16-12-46-10-14-48-18-22-52-34/h1-4,25-26H,5-24,27-28H2
InChIKey UMRJVAHYBVXUBU-UHFFFAOYSA-N
Molecular Weight 782.840 g/mol
SMILES c12c(C(CN3CCN(CC3)CC=3c4c(c5OCCOCCOCCOCCOc5cc4)OC(C3)=O)=CC(O1)=O)ccc1c2OCCOCCOCCOCCO1
SPLASH splash10-01q9-0000006900-663d7f4e1e2c24f2b09b
Source of Spectrum Y-47-1132-12
Wiley ID 1667330