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Apomorphine
SpectraBase Compound ID nFNBHvaH07
InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3
InChIKey VMWNQDUVQKEIOC-UHFFFAOYSA-N
Mol Weight 267.33 g/mol
Molecular Formula C17H17NO2
Exact Mass 267.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IxHozGFeKC2
Name Apomorphine
CAS Registry Number 58-00-4
Classification Emetic
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Exact Mass 267.125928789 u
Formula C17H17NO2
InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3
InChIKey VMWNQDUVQKEIOC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 267.328 g/mol
SMILES c1(c(O)c-2c(cc1)CC1c3c(cccc23)CCN1C)O
SPLASH splash10-014i-1490000000-c427b73309da49ae69c8
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_3988