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Cocaine-M (HO-methoxy-)
SpectraBase Compound ID 3ptbIGS1aLF
InChI InChI=1S/C18H23NO6/c1-19-11-5-6-12(19)16(18(22)24-3)15(9-11)25-17(21)10-4-7-13(20)14(8-10)23-2/h4,7-8,11-12,15-16,20H,5-6,9H2,1-3H3
InChIKey BHHXESNMOOYSOJ-UHFFFAOYSA-N
Mol Weight 349.38 g/mol
Molecular Formula C18H23NO6
Exact Mass 349.152537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LEIlTxlntMv
Name Cocaine-M (HO-methoxy-)
Classification Local anesthetic Addictive drug
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 349.152537459 u
Formula C18H23NO6
InChI InChI=1S/C18H23NO6/c1-19-11-5-6-12(19)16(18(22)24-3)15(9-11)25-17(21)10-4-7-13(20)14(8-10)23-2/h4,7-8,11-12,15-16,20H,5-6,9H2,1-3H3
InChIKey BHHXESNMOOYSOJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 349.383 g/mol
SMILES c1(ccc(c(c1)OC)O)C(OC1CC2CCC(C1C(OC)=O)N2C)=O
SPLASH splash10-001i-6903000000-1c7ea13c99204f412ff4
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_469