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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 Hj9LLA71TsT
Name Diphenoxylate
Comments MONAID: JP002774
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Ionization Type EI-B
Molecular Weight 452.598 g/mol
SMILES C(C(c1ccccc1)(c1ccccc1)CCN1CCC(CC1)(C(OCC)=O)c1ccccc1)#N
SPLASH splash10-0002-6591000000-2417c0694fd4a468b1f3
Source of Spectrum SRH-2022-2774-0
Wiley ID 1825123