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1-Benzylpiperidin-4-yl-4-butyl benzoate
SpectraBase Compound ID 90dWQU8PR9U
InChI InChI=1S/C23H29NO2/c1-2-3-7-19-10-12-21(13-11-19)23(25)26-22-14-16-24(17-15-22)18-20-8-5-4-6-9-20/h4-6,8-13,22H,2-3,7,14-18H2,1H3
InChIKey IVLVNURSQSMIEQ-UHFFFAOYSA-N
Mol Weight 351.49 g/mol
Molecular Formula C23H29NO2
Exact Mass 351.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmFNdUzfunw
Name 1-Benzylpiperidin-4-yl-4-butyl benzoate
Classification Fentanyl opioid side product
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 351.219829176 u
Formula C23H29NO2
InChI InChI=1S/C23H29NO2/c1-2-3-7-19-10-12-21(13-11-19)23(25)26-22-14-16-24(17-15-22)18-20-8-5-4-6-9-20/h4-6,8-13,22H,2-3,7,14-18H2,1H3
InChIKey IVLVNURSQSMIEQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 351.490 g/mol
Nominal Mass 351 u
Quality 979
Retention Index 2866
SMILES C(C=1C=CC(=CC1)CCCC)(OC1CCN(CC=2C=CC=CC2)CC1)=O
SPLASH splash10-008c-9600000000-117661117cd189e3e669
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_026070