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Kavain-M (O-demethyl-) -CO2

View entire compound with spectra: 1 MS (GC)

Kavain-M (O-demethyl-) -CO2
SpectraBase Compound ID EY4QApDYEH0
InChI InChI=1S/C12H12O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-10,13H,1H2/b7-5+,10-6+
InChIKey ZJBARIZQPKSOLV-YLNKAEQOSA-N
Mol Weight 172.23 g/mol
Molecular Formula C12H12O
Exact Mass 172.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ccwnmiZIsa
Name Kavain-M (O-demethyl-) -CO2
Classification Stimulant
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 172.088815005 u
Formula C12H12O
InChI InChI=1S/C12H12O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-10,13H,1H2/b7-5+,10-6+
InChIKey ZJBARIZQPKSOLV-YLNKAEQOSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 172.227 g/mol
SMILES c1(ccccc1)\C=C\C=C\C(=C)O
SPLASH splash10-004i-6900000000-420c61d3a5bf6632ac83
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.
Sample Preparation Procedure Detected: U UHY
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_2936