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5F-PB-22 ethylester analogue
SpectraBase Compound ID B8GWfWC5HPK
InChI InChI=1S/C16H20FNO2/c1-2-20-16(19)14-12-18(11-7-3-6-10-17)15-9-5-4-8-13(14)15/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3
InChIKey YFKKMHHUFHXUBB-UHFFFAOYSA-N
Mol Weight 277.34 g/mol
Molecular Formula C16H20FNO2
Exact Mass 277.147807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFzm1yHA1xo
Name PB-22 N-(5-fluoropentyl) analog-A ET
Classification Solvolysis product of 5F-PB22 in EtOH
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 277.147807049 u
Formula C16H20FNO2
InChI InChI=1S/C16H20FNO2/c1-2-20-16(19)14-12-18(11-7-3-6-10-17)15-9-5-4-8-13(14)15/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3
InChIKey YFKKMHHUFHXUBB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 277.339 g/mol
Nominal Mass 277 u
Quality 999
Retention Index 2240
SMILES C=12C(N(C=C2C(OCC)=O)CCCCCF)=CC=CC1
SPLASH splash10-0ugi-1980000000-b622cfc354eb0ec59122
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(5-Fluoropentyl)-1H-indole-3-carboxylic acid ethyl ester
Technique GC/MS
Wiley ID DD2024_017999