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1H-Isoindole-1,3(2H)-dione, 2-[4-[[3-(13-hydroxy-2-oxoazacycloheptadec-1-yl)propyl]amino]butyl]-, (.+-.)-
SpectraBase Compound ID HgmjbZL8Ee4
InChI InChI=1S/C31H49N3O4/c35-26-16-7-5-3-1-2-4-6-8-20-29(36)33(23-13-11-17-26)24-15-22-32-21-12-14-25-34-30(37)27-18-9-10-19-28(27)31(34)38/h9-10,18-19,26,32,35H,1-8,11-17,20-25H2
InChIKey TWBDRAGMEYGEOY-UHFFFAOYSA-N
Mol Weight 527.8 g/mol
Molecular Formula C31H49N3O4
Exact Mass 527.372307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9SBzgsoKjDq
Name 1H-Isoindole-1,3(2H)-dione, 2-[4-[[3-(13-hydroxy-2-oxoazacycloheptadec-1-yl)propyl]amino]butyl]-, (.+-.)-
CAS Registry Number 122890-23-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H49N3O4
InChI InChI=1S/C31H49N3O4/c35-26-16-7-5-3-1-2-4-6-8-20-29(36)33(23-13-11-17-26)24-15-22-32-21-12-14-25-34-30(37)27-18-9-10-19-28(27)31(34)38/h9-10,18-19,26,32,35H,1-8,11-17,20-25H2
InChIKey TWBDRAGMEYGEOY-UHFFFAOYSA-N
Molecular Weight 527.750 g/mol
SMILES N(CCCCN1C(c2ccccc2C1=O)=O)CCCN1CCCCC(O)CCCCCCCCCCC1=O
SPLASH splash10-001l-9000000000-26192e393c9ae9791ca7
Source of Spectrum H-71-1717-23
Synonyms Azacycloheptadecane, 1H-isoindole-1,3(2H)-dione deriv. 12-Hydroxy-N-(8-phthalimido-4-azaoctyl)-16-hexadecane-lactam 2-(4-{[3-(13-hydroxy-2-oxoazacycloheptadecan-1-yl)propyl]amino}butyl)-1H-isoindole-1,3(2H)-dione
Wiley ID 1402972