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1H-Isoindole-1,3(2H)-dione, 2-[4-(octadecahydro-5-oxopyrido[1,2-e][1,5]diazacycloheptadecin-4(1H)-yl)butyl]-, (.+-.)-
SpectraBase Compound ID 47tdwTi97oO
InChI InChI=1S/C31H47N3O3/c35-29-20-8-6-4-2-1-3-5-7-16-26-17-11-12-21-32(26)23-15-24-33(29)22-13-14-25-34-30(36)27-18-9-10-19-28(27)31(34)37/h9-10,18-19,26H,1-8,11-17,20-25H2
InChIKey IIKYWJRGIMOQJS-UHFFFAOYSA-N
Mol Weight 509.7 g/mol
Molecular Formula C31H47N3O3
Exact Mass 509.361742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwMq7tqawc
Name 1H-Isoindole-1,3(2H)-dione, 2-[4-(octadecahydro-5-oxopyrido[1,2-e][1,5]diazacycloheptadecin-4(1H)-yl)butyl]-, (.+-.)-
Alternate Name(s) Pyrido[1,2-e][1,5]diazacycloheptadecine, 1H-isoindole-1,3(2H)-dione deriv. 2-[4-(5-oxooctadecahydropyrido[1,2-e][1,5]diazacycloheptadecin-4(1H)-yl)butyl]-1H-isoindole-1,3(2H)-dione 5-(4-Phthalimidobutyl)-1,5-diazabicyclo[15.4.0]henicosan-6-one
CAS Registry Number 122890-25-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H47N3O3
InChI InChI=1S/C31H47N3O3/c35-29-20-8-6-4-2-1-3-5-7-16-26-17-11-12-21-32(26)23-15-24-33(29)22-13-14-25-34-30(36)27-18-9-10-19-28(27)31(34)37/h9-10,18-19,26H,1-8,11-17,20-25H2
InChIKey IIKYWJRGIMOQJS-UHFFFAOYSA-N
Molecular Weight 509.735 g/mol
SMILES C1(N(C(c2ccccc12)=O)CCCCN1C(=O)CCCCCCCCCCC2N(CCC1)CCCC2)=O
SPLASH splash10-0a4j-9034170000-5cb75a893c21cf9a9331
Source of Spectrum H-71-1718-26
Wiley ID 1400400