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Piperidinium, 1-[4-[acetyl[3-(acetylamino)propyl]amino]butyl]-2-(11-methoxy-11-oxoundecyl)-1-methyl-, fluoride, (R)-
SpectraBase Compound ID LwvTgFNuKCK
InChI InChI=1S/C29H55N3O4.FH/c1-26(33)30-21-17-23-31(27(2)34)22-14-16-25-32(3)24-15-13-19-28(32)18-11-9-7-5-6-8-10-12-20-29(35)36-4;/h28H,5-25H2,1-4H3;1H/t28?,32-;/m1./s1
InChIKey ZGUAOSGJOJDVNF-PNVCEEIISA-N
Mol Weight 529.8 g/mol
Molecular Formula C29H56FN3O4
Exact Mass 529.425485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yyqwNfPNBT
Name Piperidinium, 1-[4-[acetyl[3-(acetylamino)propyl]amino]butyl]-2-(11-methoxy-11-oxoundecyl)-1-methyl-, fluoride, (R)-
CAS Registry Number 55823-08-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H56FN3O4
InChI InChI=1S/C29H55N3O4.FH/c1-26(33)30-21-17-23-31(27(2)34)22-14-16-25-32(3)24-15-13-19-28(32)18-11-9-7-5-6-8-10-12-20-29(35)36-4;/h28H,5-25H2,1-4H3;1H/t28?,32-;/m1./s1
InChIKey ZGUAOSGJOJDVNF-PNVCEEIISA-N
Molecular Weight 529.782 g/mol
SMILES [F-].N(C(=O)C)CCCN(C(=O)C)CCCC[N@@+]1(C(CCCCCCCCCCC(=O)OC)CCCC1)C
SPLASH splash10-0002-9372000000-d9b91dd329d5d917a141
Source of Spectrum H-57-433-33
Synonyms (1R)-1-(4-{acetyl[3-(acetylamino)propyl]amino}butyl)-2-(11-methoxy-11-oxoundecyl)-1-methylpiperidinium fluoride N(6),n(4')-diacetyl-neooncinotinic acid-methyl ester-N(1)-methyl fluoride
Wiley ID 1403214