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3-N-(2-fluoropropyl)spiperone
SpectraBase Compound ID GPOYp5VPIVQ
InChI InChI=1S/C26H31F2N3O2/c1-20(27)18-30-19-31(23-6-3-2-4-7-23)26(25(30)33)13-16-29(17-14-26)15-5-8-24(32)21-9-11-22(28)12-10-21/h2-4,6-7,9-12,20H,5,8,13-19H2,1H3
InChIKey HPARITCICJRQAT-UHFFFAOYSA-N
Mol Weight 455.55 g/mol
Molecular Formula C26H31F2N3O2
Exact Mass 455.238434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4WoBTuWJ8a
Name 3-N-(2-fluoropropyl)spiperone
CAS Registry Number 106114-46-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31F2N3O2
InChI InChI=1S/C26H31F2N3O2/c1-20(27)18-30-19-31(23-6-3-2-4-7-23)26(25(30)33)13-16-29(17-14-26)15-5-8-24(32)21-9-11-22(28)12-10-21/h2-4,6-7,9-12,20H,5,8,13-19H2,1H3
InChIKey HPARITCICJRQAT-UHFFFAOYSA-N
Molecular Weight 455.550 g/mol
SMILES C1(N(CN(C11CCN(CC1)CCCC(c1ccc(cc1)F)=O)c1ccccc1)CC(F)C)=O
SPLASH splash10-0v4l-6928200000-99e593ff8a1f02fb1cd9
Source of Spectrum J-52-663-8
Synonyms 8-[4-(4-fluorophenyl)-4-oxobutyl]-3-(2-fluoropropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Wiley ID 1389060