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Pentazocine AC
SpectraBase Compound ID 8WQufHcjEcM
InChI InChI=1S/C21H29NO2/c1-14(2)8-10-22-11-9-21(5)15(3)20(22)12-17-6-7-18(13-19(17)21)24-16(4)23/h6-8,13,15,20H,9-12H2,1-5H3
InChIKey RZQOPGCRAQSJKM-UHFFFAOYSA-N
Mol Weight 327.47 g/mol
Molecular Formula C21H29NO2
Exact Mass 327.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7mYykJbR0k3
Name Pentazocine AC
Classification Potent analgesic
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Exact Mass 327.219829176 u
Formula C21H29NO2
InChI InChI=1S/C21H29NO2/c1-14(2)8-10-22-11-9-21(5)15(3)20(22)12-17-6-7-18(13-19(17)21)24-16(4)23/h6-8,13,15,20H,9-12H2,1-5H3
InChIKey RZQOPGCRAQSJKM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 327.468 g/mol
SMILES c1cc2CC3N(CC=C(C)C)CCC(C)(c2cc1OC(=O)C)C3C
SPLASH splash10-08fr-4982000000-1fa018abdbe3c3e67dff
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: UHYAC
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_249