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13-(Chloroacetoxy)-6,12,13,20,28,29-hexahydro-14H-tetrabenzo[b,f,n,r]-[1,5,16,20,9,12]-tetraoxadiazatricosin-26,31-(27H,30H)-dione
SpectraBase Compound ID IYbIkm1Anur
InChI InChI=1S/C35H33ClN2O8/c36-19-33(39)46-26-22-44-29-13-5-1-9-24(29)20-42-31-15-7-3-11-27(31)34(40)37-17-18-38-35(41)28-12-4-8-16-32(28)43-21-25-10-2-6-14-30(25)45-23-26/h1-16,26H,17-23H2,(H,37,40)(H,38,41)
InChIKey ZXJBLEDJWVZLQX-UHFFFAOYSA-N
Mol Weight 645.1 g/mol
Molecular Formula C35H33ClN2O8
Exact Mass 644.192544 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RC3tq3q8pc
Name 13-(Chloroacetoxy)-6,12,13,20,28,29-hexahydro-14H-tetrabenzo[b,f,n,r]-[1,5,16,20,9,12]-tetraoxadiazatricosin-26,31-(27H,30H)-dione
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Formula C35H33ClN2O8
InChI InChI=1S/C35H33ClN2O8/c36-19-33(39)46-26-22-44-29-13-5-1-9-24(29)20-42-31-15-7-3-11-27(31)34(40)37-17-18-38-35(41)28-12-4-8-16-32(28)43-21-25-10-2-6-14-30(25)45-23-26/h1-16,26H,17-23H2,(H,37,40)(H,38,41)
InChIKey ZXJBLEDJWVZLQX-UHFFFAOYSA-N
Molecular Weight 645.108 g/mol
SMILES N1CCNC(c2c(OCc3ccccc3OCC(OC(=O)CCl)COc3c(COc4c(C1=O)cccc4)cccc3)cccc2)=O
SPLASH splash10-006t-0902000000-5470e2b461ad9a7c81e2
Source of Spectrum AJ-42-98-20
Wiley ID 1567779