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2-(6-Bromohexyloxy)-3-methylnaphthalene-1,4-dione
SpectraBase Compound ID EnDHuIx2Fpv
InChI InChI=1S/C17H19BrO3/c1-12-15(19)13-8-4-5-9-14(13)16(20)17(12)21-11-7-3-2-6-10-18/h4-5,8-9H,2-3,6-7,10-11H2,1H3
InChIKey HTTLQTKLHGQNSF-UHFFFAOYSA-N
Mol Weight 351.24 g/mol
Molecular Formula C17H19BrO3
Exact Mass 350.051757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dr7yvC9DwY
Name 2-(6-Bromohexyloxy)-3-methylnaphthalene-1,4-dione
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19BrO3
InChI InChI=1S/C17H19BrO3/c1-12-15(19)13-8-4-5-9-14(13)16(20)17(12)21-11-7-3-2-6-10-18/h4-5,8-9H,2-3,6-7,10-11H2,1H3
InChIKey HTTLQTKLHGQNSF-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/ml300242v
Molecular Weight 351.240 g/mol
SMILES C(Br)CCCCCOC=1C(c2c(C(C1C)=O)cccc2)=O
SPLASH splash10-000i-0910000000-34af8137dcbded14c68f
Source of Spectrum MCS-3-SM5-27b
Thin-Layer Chromatography Rf = 0.43 (hexanes/EtOAc, 5:1)
Wiley ID 1864061