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Dipivefrin -H2O AC
SpectraBase Compound ID 2NTbhszDGpm
InChI InChI=1S/C21H29NO5/c1-14(23)22(8)12-11-15-9-10-16(26-18(24)20(2,3)4)17(13-15)27-19(25)21(5,6)7/h9-13H,1-8H3/b12-11+
InChIKey SOVYWFFIMJNOPA-VAWYXSNFSA-N
Mol Weight 375.47 g/mol
Molecular Formula C21H29NO5
Exact Mass 375.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrJReudNGLy
Name Dipivefrin -H2O AC
Classification Sympathomimetic
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Exact Mass 375.204573033 u
Formula C21H29NO5
InChI InChI=1S/C21H29NO5/c1-14(23)22(8)12-11-15-9-10-16(26-18(24)20(2,3)4)17(13-15)27-19(25)21(5,6)7/h9-13H,1-8H3/b12-11+
InChIKey SOVYWFFIMJNOPA-VAWYXSNFSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 375.465 g/mol
SMILES c1cc(c(cc1\C=C\N(C)C(C)=O)OC(C(C)(C)C)=O)OC(=O)C(C)(C)C
SPLASH splash10-0a4i-9312000000-b5f0b92627f9b5acb15d
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.
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_2746