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12-chloro-N-(8-phthalimido-4-azaoctyl)-16-hexadecane-lactam
SpectraBase Compound ID KYSDubacdh9
InChI InChI=1S/C31H48ClN3O3/c32-26-16-7-5-3-1-2-4-6-8-20-29(36)34(23-13-11-17-26)24-15-22-33-21-12-14-25-35-30(37)27-18-9-10-19-28(27)31(35)38/h9-10,18-19,26,33H,1-8,11-17,20-25H2
InChIKey FRUQHZYOQHEFQJ-UHFFFAOYSA-N
Mol Weight 546.2 g/mol
Molecular Formula C31H48ClN3O3
Exact Mass 545.33842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 74QgCr4MXfP
Name 12-chloro-N-(8-phthalimido-4-azaoctyl)-16-hexadecane-lactam
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H48ClN3O3
InChI InChI=1S/C31H48ClN3O3/c32-26-16-7-5-3-1-2-4-6-8-20-29(36)34(23-13-11-17-26)24-15-22-33-21-12-14-25-35-30(37)27-18-9-10-19-28(27)31(35)38/h9-10,18-19,26,33H,1-8,11-17,20-25H2
InChIKey FRUQHZYOQHEFQJ-UHFFFAOYSA-N
Molecular Weight 546.196 g/mol
SMILES N(CCCCN1C(c2ccccc2C1=O)=O)CCCN1C(=O)CCCCCCCCCCC(Cl)CCCC1
SPLASH splash10-0007-9210000000-381940996f8457109b68
Source of Spectrum H-71-1717-24
Synonyms 2-(4-{[3-(13-chloro-2-oxoazacycloheptadecan-1-yl)propyl]amino}butyl)-1H-isoindole-1,3(2H)-dione
Wiley ID 1405164