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Acetylthebaol
SpectraBase Compound ID A5k9bzzUXcn
InChI InChI=1S/C18H16O4/c1-11(19)22-18-16(21-3)9-7-13-5-4-12-6-8-14(20-2)10-15(12)17(13)18/h4-10H,1-3H3
InChIKey RIUJHBDYSWDQNC-UHFFFAOYSA-N
Mol Weight 296.32 g/mol
Molecular Formula C18H16O4
Exact Mass 296.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUzZEudelRW
Name Thebaol AC
Classification Ingredient of opium
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Exact Mass 296.104858991 u
Formula C18H16O4
InChI InChI=1S/C18H16O4/c1-11(19)22-18-16(21-3)9-7-13-5-4-12-6-8-14(20-2)10-15(12)17(13)18/h4-10H,1-3H3
InChIKey RIUJHBDYSWDQNC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 296.322 g/mol
SMILES c12ccc3c(c1cc(cc2)OC)c(OC(=O)C)c(cc3)OC
SPLASH splash10-0udi-0190000000-cd0a943298d8b695946c
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_2327