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Pentedrone

View entire compound with spectra: 3 FTIR, 1 Raman, and 7 MS (GC)

Pentedrone
SpectraBase Compound ID 14HmuXIEiym
InChI InChI=1S/C12H17NO/c1-3-7-11(13-2)12(14)10-8-5-4-6-9-10/h4-6,8-9,11,13H,3,7H2,1-2H3
InChIKey WLIWIUNEJRETFX-UHFFFAOYSA-N
Mol Weight 191.27 g/mol
Molecular Formula C12H17NO
Exact Mass 191.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5UemDLTjCL
Name Pentedrone (exempt preparation)
Catalog Number 16052
CAS Registry Number 879669-95-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO
InChI InChI=1S/C12H17NO/c1-3-7-11(13-2)12(14)10-8-5-4-6-9-10/h4-6,8-9,11,13H,3,7H2,1-2H3
InChIKey WLIWIUNEJRETFX-UHFFFAOYSA-N
Molecular Weight 191.274 g/mol
SMILES N(C(C(c1ccccc1)=O)CCC)C
SPLASH splash10-000i-9100000000-1f065bbff1e2b330a285
Source of Spectrum CAY-2023-1366-0
Wiley ID 1889303