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4-Benzyl-2-methoxy-5,6,7,8-tetrahydroisoquinolin-1(2H)-one
SpectraBase Compound ID F5L4Mw8sBbZ
InChI InChI=1S/C17H19NO2/c1-20-18-12-14(11-13-7-3-2-4-8-13)15-9-5-6-10-16(15)17(18)19/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKey MFOHTIILVPKGCO-UHFFFAOYSA-N
Mol Weight 269.34 g/mol
Molecular Formula C17H19NO2
Exact Mass 269.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49pYTUhxBAg
Name 4-Benzyl-2-methoxy-5,6,7,8-tetrahydroisoquinolin-1(2H)-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.141578854 u
Formula C17H19NO2
InChI InChI=1S/C17H19NO2/c1-20-18-12-14(11-13-7-3-2-4-8-13)15-9-5-6-10-16(15)17(18)19/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKey MFOHTIILVPKGCO-UHFFFAOYSA-N
Instrument Name Finnigan SSQ Finnigan 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201710776
Quality 162
Reported Formula C17H19NO2
SMILES C1(=CC=CC=C1)CC1=CN(C(C2=C1CCCC2)=O)OC
SPLASH splash10-0006-9230000000-92c89e80512a87af2fb5
Source of Spectrum ACI-56-SM54-5aaa (DOI: 10.1002/anie.201710776)
Thin-Layer Chromatography 0.1 (pentane/EtOAc, 1:1)
Wiley ID 1896686