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2-allyl-3-benzyloxy-4-methoxy-5-methyl-aniline
SpectraBase Compound ID 3aPDmVS87gZ
InChI InChI=1S/C18H21NO2/c1-4-8-15-16(19)11-13(2)17(20-3)18(15)21-12-14-9-6-5-7-10-14/h4-7,9-11H,1,8,12,19H2,2-3H3
InChIKey XTFFFWGPEJTAGT-UHFFFAOYSA-N
Mol Weight 283.37 g/mol
Molecular Formula C18H21NO2
Exact Mass 283.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JObd3ucvLR7
Name 2-allyl-3-benzyloxy-4-methoxy-5-methyl-aniline
Appearance Brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.157228918 u
Formula C18H21NO2
InChI InChI=1S/C18H21NO2/c1-4-8-15-16(19)11-13(2)17(20-3)18(15)21-12-14-9-6-5-7-10-14/h4-7,9-11H,1,8,12,19H2,2-3H3
InChIKey XTFFFWGPEJTAGT-UHFFFAOYSA-N
Instrument Name Thermo Scientific Orbitrap Fusion system
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701895
Molecular Weight 283.371 g/mol
Quality 88
Reported Formula C18H21O2N
SMILES NC1=C(C(=C(C(=C1)C)OC)OCC1=CC=CC=C1)CC=C
SPLASH splash10-03e9-2940000000-e963e46eab815abd0153
Source of Spectrum ACI-56-SM37-S31 (DOI: 10.1002/anie.201701895)
Thin-Layer Chromatography 0.14 (EtOAc/n-hexane, 1:10)
Wiley ID 1895881