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3-[17-Oxo-17-(1-pyrrolidinyl)heptadecyl][1,2,4]triazolo[4,3-a]pyridine
SpectraBase Compound ID 99Ty18PUJoY
InChI InChI=1S/C27H44N4O/c32-27(30-22-17-18-23-30)21-14-12-10-8-6-4-2-1-3-5-7-9-11-13-19-25-28-29-26-20-15-16-24-31(25)26/h15-16,20,24H,1-14,17-19,21-23H2
InChIKey UQIUUDVQZBBETC-UHFFFAOYSA-N
Mol Weight 440.7 g/mol
Molecular Formula C27H44N4O
Exact Mass 440.351512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BY77LTXPj3E
Name 3-[17-Oxo-17-(1-pyrrolidinyl)heptadecyl][1,2,4]triazolo[4,3-a]pyridine
Alternate Name(s) 1-(1-pyrrolidinyl)-17-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-heptadecanone 1-Pyrrolidin-1-yl-17-([1,2,4]triazolo[4,3-a]pyridin-3-yl)heptadecan-1-one 1-Pyrrolidino-17-([1,2,4]triazolo[4,3-a]pyridin-3-yl)heptadecan-1-one
CAS Registry Number 118268-04-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44N4O
InChI InChI=1S/C27H44N4O/c32-27(30-22-17-18-23-30)21-14-12-10-8-6-4-2-1-3-5-7-9-11-13-19-25-28-29-26-20-15-16-24-31(25)26/h15-16,20,24H,1-14,17-19,21-23H2
InChIKey UQIUUDVQZBBETC-UHFFFAOYSA-N
Molecular Weight 440.676 g/mol
SMILES C=1C=C[n]2c(C1)nnc2CCCCCCCCCCCCCCCCC(N1CCCC1)=O
SPLASH splash10-06u2-9512000000-72a717948fe6e0c5398a
Source of Spectrum O-23-570-0
Wiley ID 1384815