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Isofentanyl
SpectraBase Compound ID Gz3zo2Fl78r
InChI InChI=1S/C22H28N2O/c1-3-22(25)24(20-12-8-5-9-13-20)21-14-15-23(16-18(21)2)17-19-10-6-4-7-11-19/h4-13,18,21H,3,14-17H2,1-2H3
InChIKey MSAFCEWTMBDBFQ-UHFFFAOYSA-N
Mol Weight 336.48 g/mol
Molecular Formula C22H28N2O
Exact Mass 336.220164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PMXbqxJya
Name Isofentanyl
Classification Designer drug
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 336.220163529 u
Formula C22H28N2O
InChI InChI=1S/C22H28N2O/c1-3-22(25)24(20-12-8-5-9-13-20)21-14-15-23(16-18(21)2)17-19-10-6-4-7-11-19/h4-13,18,21H,3,14-17H2,1-2H3
InChIKey MSAFCEWTMBDBFQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 336.479 g/mol
SMILES c1cc(CN2CCC(C(C2)C)N(c2ccccc2)C(CC)=O)ccc1
SPLASH splash10-0007-9500000000-11efb870f400dcb495e7
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: USPEAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_8024