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1-(3-Bromo-4-((3-methylbut-2-en-1-yl)oxy)phenyl)adamantane
SpectraBase Compound ID JTgnK9J08np
InChI InChI=1S/C21H27BrO/c1-14(2)5-6-23-20-4-3-18(10-19(20)22)21-11-15-7-16(12-21)9-17(8-15)13-21/h3-5,10,15-17H,6-9,11-13H2,1-2H3
InChIKey YEZBOWVKASXNCO-UHFFFAOYSA-N
Mol Weight 375.35 g/mol
Molecular Formula C21H27BrO
Exact Mass 374.124528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GamkW4VdUhU
Name 1-(3-Bromo-4-((3-methylbut-2-en-1-yl)oxy)phenyl)adamantane
Appearance White crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27BrO
InChI InChI=1S/C21H27BrO/c1-14(2)5-6-23-20-4-3-18(10-19(20)22)21-11-15-7-16(12-21)9-17(8-15)13-21/h3-5,10,15-17H,6-9,11-13H2,1-2H3
InChIKey YEZBOWVKASXNCO-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-5975C VL or Agilent-5975
Ionization Type EI
Literature Reference DOI 10.1002/anie.201911012
Molecular Weight 375.350 g/mol
SMILES c1(cc(c(cc1)OCC=C(C)C)Br)C12CC3CC(CC(C3)C1)C2
SPLASH splash10-0a4i-4395000000-45f60b6112cb798a9e43
Source of Spectrum ACI-59-SM8-SI-13
Thin-Layer Chromatography Rf = 0.33, (pentane/CH2Cl2, 9:1)
Wiley ID 1858408