Debug Info

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_id
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JIG3sZLZKSG
spectrumID
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JIG3sZLZKSG
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.alpha.-Pyrrolidinohexanophenone metabolite
SpectraBase Compound ID 2494pLIlCwI
InChI InChI=1S/C16H25NO/c1-2-3-11-15(17-12-7-8-13-17)16(18)14-9-5-4-6-10-14/h4-6,9-10,15-16,18H,2-3,7-8,11-13H2,1H3
InChIKey GJHNPZVIGWPXBH-UHFFFAOYSA-N
Mol Weight 247.38 g/mol
Molecular Formula C16H25NO
Exact Mass 247.193614 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIG3sZLZKSG
Name BOH-PHP
Classification Phenethylamine analog designer drug
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 247.193614428 u
Formula C16H25NO
InChI InChI=1S/C16H25NO/c1-2-3-11-15(17-12-7-8-13-17)16(18)14-9-5-4-6-10-14/h4-6,9-10,15-16,18H,2-3,7-8,11-13H2,1H3
InChIKey GJHNPZVIGWPXBH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 247.382 g/mol
Nominal Mass 247 u
Quality 998
Retention Index 1876
SMILES OC(C(N1CCCC1)CCCC)C1=CC=CC=C1
SPLASH splash10-0006-3900000000-38142c1e5ce9f2674f84
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-phenyl-2-(pyrrolidin-1-yl)hexan-1-o
Technique GC/MS
Wiley ID DD2024_032809
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