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1-(2-Phenylethyl)piperidin-4-yl-2-methoxy benzoate
SpectraBase Compound ID BHUELhKbW2y
InChI InChI=1S/C21H25NO3/c1-24-20-10-6-5-9-19(20)21(23)25-18-12-15-22(16-13-18)14-11-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3
InChIKey SVIDBENJIPESBF-UHFFFAOYSA-N
Mol Weight 339.44 g/mol
Molecular Formula C21H25NO3
Exact Mass 339.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8H5MBJZ4UCm
Name 1-(2-Phenylethyl)piperidin-4-yl-2-methoxy benzoate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 339.183443666 u
Formula C21H25NO3
InChI InChI=1S/C21H25NO3/c1-24-20-10-6-5-9-19(20)21(23)25-18-12-15-22(16-13-18)14-11-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3
InChIKey SVIDBENJIPESBF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 339.435 g/mol
Nominal Mass 339 u
Quality 981
Retention Index 2779
SMILES C=1(C(OC2CCN(CC2)CCC2=CC=CC=C2)=O)C(=CC=CC1)OC
SPLASH splash10-000j-2960000000-448651d12807d3d7b988
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_027145