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3-endo-(4-Bromo-3-methylbut-2-enyl)-1-methoxy-3-methyl-bicyclo[2.2.2]oct-5-en-2-one
SpectraBase Compound ID YoWfeZC9J7
InChI InChI=1S/C15H21BrO2/c1-11(10-16)4-7-14(2)12-5-8-15(18-3,9-6-12)13(14)17/h4-5,8,12H,6-7,9-10H2,1-3H3/b11-4+/t12-,14+,15-/m0/s1
InChIKey BPXDIPBMAZWCQK-BJSQDWOFSA-N
Mol Weight 313.24 g/mol
Molecular Formula C15H21BrO2
Exact Mass 312.072493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lr6VPtYo2W
Name 3-endo-(4-Bromo-3-methylbut-2-enyl)-1-methoxy-3-methyl-bicyclo[2.2.2]oct-5-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21BrO2
InChI InChI=1S/C15H21BrO2/c1-11(10-16)4-7-14(2)12-5-8-15(18-3,9-6-12)13(14)17/h4-5,8,12H,6-7,9-10H2,1-3H3/b11-4+/t12-,14+,15-/m0/s1
InChIKey BPXDIPBMAZWCQK-BJSQDWOFSA-N
Molecular Weight 313.235 g/mol
SMILES [C@]1(C([C@@]2(OC)CC[C@@]1(C=C2)[H])=O)(C\C=C\(CBr)C)C
SPLASH splash10-08g9-0940000000-3ac6d360693fb3458d59
Source of Spectrum KC-0-3396-19
Synonyms (1S,3R)-3-((E)-4-Bromo-3-methyl-but-2-enyl)-1-methoxy-3-methyl-bicyclo[2.2.2]oct-5-en-2-one 3-[(2E)-4-bromo-3-methyl-2-butenyl]-1-methoxy-3-methylbicyclo[2.2.2]oct-5-en-2-one
Wiley ID 823731