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Piritramide
SpectraBase Compound ID Ht5m02G1vna
InChI InChI=1S/C27H34N4O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32)
InChIKey IHEHEFLXQFOQJO-UHFFFAOYSA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H34N4O
Exact Mass 430.273262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6dgozCaYKum
Name Piritramide
CAS Registry Number 302-41-0
Classification Potent analgesic
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Exact Mass 430.273261730 u
Formula C27H34N4O
InChI InChI=1S/C27H34N4O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32)
InChIKey IHEHEFLXQFOQJO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 430.596 g/mol
SMILES C(C(C#N)(c1ccccc1)c1ccccc1)CN1CCC(CC1)(C(N)=O)N1CCCCC1
SPLASH splash10-000i-4729000000-15d77edc377d64c47fac
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: P-I U+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_256