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Diphenoxylate
SpectraBase Compound ID B4WW31WuN0A
InChI InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3
InChIKey HYPPXZBJBPSRLK-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C30H32N2O2
Exact Mass 452.246378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGgQRyg0g8O
Name Diphenoxylate
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Formula C30H32N2O2
InChI InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3
InChIKey HYPPXZBJBPSRLK-UHFFFAOYSA-N
SMILES C1(CCN(CC1)CCC(c1ccccc1)(c1ccccc1)C#N)(C(OCC)=O)c1ccccc1
SPLASH splash10-0002-2590000000-fe17bbdbec57648a59d3
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences