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13-(Chloroacetoxy)-6,12,13,20,28,29,30,31-octahydro-14H-tetrabenzo[b,f,n,r]-[1,5,18,22,9,14]-tetraoxadiazapentacosin-26,33-(27H,32H)-dione
SpectraBase Compound ID 40rVZrpJTHU
InChI InChI=1S/C37H37ClN2O8/c38-21-35(41)48-28-24-46-31-15-5-1-11-26(31)22-44-33-17-7-3-13-29(33)36(42)39-19-9-10-20-40-37(43)30-14-4-8-18-34(30)45-23-27-12-2-6-16-32(27)47-25-28/h1-8,11-18,28H,9-10,19-25H2,(H,39,42)(H,40,43)
InChIKey CJRPZCKZQOEELX-UHFFFAOYSA-N
Mol Weight 673.2 g/mol
Molecular Formula C37H37ClN2O8
Exact Mass 672.223844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aze8ivVYYu1
Name 13-(Chloroacetoxy)-6,12,13,20,28,29,30,31-octahydro-14H-tetrabenzo[b,f,n,r]-[1,5,18,22,9,14]-tetraoxadiazapentacosin-26,33-(27H,32H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H37ClN2O8
InChI InChI=1S/C37H37ClN2O8/c38-21-35(41)48-28-24-46-31-15-5-1-11-26(31)22-44-33-17-7-3-13-29(33)36(42)39-19-9-10-20-40-37(43)30-14-4-8-18-34(30)45-23-27-12-2-6-16-32(27)47-25-28/h1-8,11-18,28H,9-10,19-25H2,(H,39,42)(H,40,43)
InChIKey CJRPZCKZQOEELX-UHFFFAOYSA-N
Molecular Weight 673.162 g/mol
SMILES N1CCCCNC(c2c(OCc3c(OCC(OC(=O)CCl)COc4c(COc5c(C1=O)cccc5)cccc4)cccc3)cccc2)=O
SPLASH splash10-0002-0943100000-b0bcf0e1436387d3d45d
Source of Spectrum AJ-42-98-20
Wiley ID 1567778