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Methylthebaol
SpectraBase Compound ID BfTDExBucsI
InChI InChI=1S/C17H16O3/c1-18-13-8-6-11-4-5-12-7-9-15(19-2)17(20-3)16(12)14(11)10-13/h4-10H,1-3H3
InChIKey BPLAXUXVTBKFFG-UHFFFAOYSA-N
Mol Weight 268.31 g/mol
Molecular Formula C17H16O3
Exact Mass 268.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYjPrIAt42C
Name Methylthebaol
Classification Heroin impurity
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 268.109944372 u
Formula C17H16O3
InChI InChI=1S/C17H16O3/c1-18-13-8-6-11-4-5-12-7-9-15(19-2)17(20-3)16(12)14(11)10-13/h4-10H,1-3H3
InChIKey BPLAXUXVTBKFFG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 268.312 g/mol
Nominal Mass 268 u
Quality 909
Retention Index 2033
SMILES C1=2C3=C(C=CC2C=CC(=C1OC)OC)C=CC(=C3)OC
SPLASH splash10-0gb9-3890000000-b1d5697f5edf5afb4f08
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3,4,6-trimethoxyphenanthrene
Technique GC/MS
Wiley ID DD2024_014132