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Tropa cocain
SpectraBase Compound ID CjfW4Vcw8hq
InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3
InChIKey XQJMXPAEFMWDOZ-UHFFFAOYSA-N
Mol Weight 245.32 g/mol
Molecular Formula C15H19NO2
Exact Mass 245.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Campv3Ah7AP
Name Tropacocaine @
CAS Registry Number 537-26-8
Classification Alkaloid
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Exact Mass 245.141578854 u
Formula C15H19NO2
InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3
InChIKey XQJMXPAEFMWDOZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 245.322 g/mol
SMILES c1ccc(C(OC2CC3N(C(C2)CC3)C)=O)cc1
SPLASH splash10-0089-9300000000-478d5e7078c47adc8adb
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
Synonyms Pseudotropine benzoate
Technique GC/MS
Wiley ID MMPW6e_5124