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Rel-(2R,4S,5R)-4-(1'-Bromo-5',8'-dihydro-5',8'-epoxy-4'-methoxynaphthalen-2'-yl)-2,5-dimethyl-1,3-dioxolane
SpectraBase Compound ID 8UrGANdLGuD
InChI InChI=1S/C16H17BrO4/c1-7-16(20-8(2)19-7)9-6-12(18-3)13-10-4-5-11(21-10)14(13)15(9)17/h4-8,10-11,16H,1-3H3/t7-,8-,10?,11?,16-/m1/s1
InChIKey BEXMLCLEYZLHCT-XUNUBFDCSA-N
Mol Weight 353.21 g/mol
Molecular Formula C16H17BrO4
Exact Mass 352.031022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KpHMKA4psO9
Name Rel-(2R,4S,5R)-4-(1'-Bromo-5',8'-dihydro-5',8'-epoxy-4'-methoxynaphthalen-2'-yl)-2,5-dimethyl-1,3-dioxolane
Appearance White plates
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17BrO4
InChI InChI=1S/C16H17BrO4/c1-7-16(20-8(2)19-7)9-6-12(18-3)13-10-4-5-11(21-10)14(13)15(9)17/h4-8,10-11,16H,1-3H3/t7-,8-,10?,11?,16-/m1/s1
InChIKey BEXMLCLEYZLHCT-XUNUBFDCSA-N
Instrument Name Hewlett Packard 5986 or Perkin Elmer ITD Ion Trap Detector
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0005.a14
Molecular Weight 353.212 g/mol
SMILES COc1c2C3C=CC(c2c(c(c1)[C@@]1(O[C@@](O[C@@]1(C)[H])(C)[H])[H])Br)O3
SPLASH splash10-0596-9410000000-ea294eaa36d5d663b5ce
Source of Spectrum ARK-2004-148-30
Wiley ID 1875840