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Californine-M (nor-) AC
SpectraBase Compound ID 2HHocauBPbE
InChI InChI=1S/C20H17NO5/c1-10(22)21-15-2-11-4-17-19(25-8-23-17)6-13(11)16(21)3-12-5-18-20(7-14(12)15)26-9-24-18/h4-7,15-16H,2-3,8-9H2,1H3/t15-,16-/m1/s1
InChIKey HCMZTUUUKUXOFC-HZPDHXFCSA-N
Mol Weight 351.36 g/mol
Molecular Formula C20H17NO5
Exact Mass 351.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CyTtFS6uXJH
Name Californine-M (nor-) AC
Classification Alkaloid
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Exact Mass 351.110672646 u
Formula C20H17NO5
InChI InChI=1S/C20H17NO5/c1-10(22)21-15-2-11-4-17-19(25-8-23-17)6-13(11)16(21)3-12-5-18-20(7-14(12)15)26-9-24-18/h4-7,15-16H,2-3,8-9H2,1H3/t15-,16-/m1/s1
InChIKey HCMZTUUUKUXOFC-HZPDHXFCSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 351.358 g/mol
SMILES c1c2c(cc3c1[C@@]1(N([C@](C3)(c3cc4c(cc3C1)OCO4)[H])C(=O)C)[H])OCO2
SPLASH splash10-00di-4963000000-272ea838b4e49bffa65a
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_6733