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3-N-(2-fluoropentyl)spiperone
SpectraBase Compound ID CIdwI317u0O
InChI InChI=1S/C28H35F2N3O2/c1-2-7-24(30)20-32-21-33(25-8-4-3-5-9-25)28(27(32)35)15-18-31(19-16-28)17-6-10-26(34)22-11-13-23(29)14-12-22/h3-5,8-9,11-14,24H,2,6-7,10,15-21H2,1H3
InChIKey VNJSDLSRSJVJTP-UHFFFAOYSA-N
Mol Weight 483.6 g/mol
Molecular Formula C28H35F2N3O2
Exact Mass 483.269734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vl0OpchsGb
Name 3-N-(2-fluoropentyl)spiperone
CAS Registry Number 106114-48-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H35F2N3O2
InChI InChI=1S/C28H35F2N3O2/c1-2-7-24(30)20-32-21-33(25-8-4-3-5-9-25)28(27(32)35)15-18-31(19-16-28)17-6-10-26(34)22-11-13-23(29)14-12-22/h3-5,8-9,11-14,24H,2,6-7,10,15-21H2,1H3
InChIKey VNJSDLSRSJVJTP-UHFFFAOYSA-N
Molecular Weight 483.604 g/mol
SMILES C1(N(CN(C11CCN(CC1)CCCC(c1ccc(cc1)F)=O)c1ccccc1)CC(F)CCC)=O
SPLASH splash10-00yi-0976300000-79c7c0f2f5edf1ddba24
Source of Spectrum J-52-663-8
Synonyms 3-(2-fluoropentyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Wiley ID 1395854