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Dihydrochelerythrine
SpectraBase Compound ID 4WwsjCPxkBn
InChI InChI=1S/C21H19NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-9H,10-11H2,1-3H3
InChIKey ALZAZMCIBRHMFF-UHFFFAOYSA-N
Mol Weight 349.39 g/mol
Molecular Formula C21H19NO4
Exact Mass 349.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98dc2avybVY
Name Chelerythrine artifact (dihydro-)
Classification Alkaloid
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Exact Mass 349.131408092 u
Formula C21H19NO4
InChI InChI=1S/C21H19NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-9H,10-11H2,1-3H3
InChIKey ALZAZMCIBRHMFF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 349.386 g/mol
Related CAS Registry Number(s) 6900-99-8
SMILES c12c(-c3ccc4c(c3N(C2)C)cc2OCOc2c4)ccc(c1OC)OC
SPLASH splash10-0002-0229000000-005c229ad9c3b7010ecc
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_5772