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1-((((1S,4R,5S)-2-bromo-4,5-bis(methoxymethoxy)cyclohex-2-en-1-yl)oxy)methyl)-4-methoxybenzene
SpectraBase Compound ID 1Jd6oTYRwow
InChI InChI=1S/C18H25BrO6/c1-20-11-24-17-8-15(19)16(9-18(17)25-12-21-2)23-10-13-4-6-14(22-3)7-5-13/h4-8,16-18H,9-12H2,1-3H3/t16-,17+,18-/m0/s1
InChIKey AHXCQZDXPSAZTF-KSZLIROESA-N
Mol Weight 417.3 g/mol
Molecular Formula C18H25BrO6
Exact Mass 416.083452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9Pyvo3LJxM
Name 1-((((1S,4R,5S)-2-bromo-4,5-bis(methoxymethoxy)cyclohex-2-en-1-yl)oxy)methyl)-4-methoxybenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25BrO6
InChI InChI=1S/C18H25BrO6/c1-20-11-24-17-8-15(19)16(9-18(17)25-12-21-2)23-10-13-4-6-14(22-3)7-5-13/h4-8,16-18H,9-12H2,1-3H3/t16-,17+,18-/m0/s1
InChIKey AHXCQZDXPSAZTF-KSZLIROESA-N
Literature Reference DOI 10.1021/ol071344y
Molecular Weight 417.296 g/mol
SMILES [C@]1(C[C@@](C(=C[C@]1(OCOC)[H])Br)(OCc1ccc(cc1)OC)[H])(OCOC)[H]
SPLASH splash10-00g1-5911000000-ad9e850ecb25636431f0
Source of Spectrum A1-9-3503/SMS11-10a
Wiley ID 1758431