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7-Bromo-3a,4,7,7a-tetrahydro-2-phenyl-4,7-ethano-1,3-benzodioxol-8-one ethylene acetal
SpectraBase Compound ID FhzDsjCnC5I
InChI InChI=1S/C17H17BrO4/c18-16-7-6-12(10-17(16)19-8-9-20-17)13-14(16)22-15(21-13)11-4-2-1-3-5-11/h1-7,12-15H,8-10H2/t12-,13-,14-,15?,16+/m1/s1
InChIKey DNPKZIMIKDWYMD-SFCJMPCZSA-N
Mol Weight 365.22 g/mol
Molecular Formula C17H17BrO4
Exact Mass 364.031022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hpHau0iYmK
Name 7-Bromo-3a,4,7,7a-tetrahydro-2-phenyl-4,7-ethano-1,3-benzodioxol-8-one ethylene acetal
Comments Removed - unrepairable contamination (CH2Cl2)
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Formula C17H17BrO4
InChI InChI=1S/C17H17BrO4/c18-16-7-6-12(10-17(16)19-8-9-20-17)13-14(16)22-15(21-13)11-4-2-1-3-5-11/h1-7,12-15H,8-10H2/t12-,13-,14-,15?,16+/m1/s1
InChIKey DNPKZIMIKDWYMD-SFCJMPCZSA-N
Molecular Weight 365.223 g/mol
SMILES [C@@]12([C@@]3(OC(c4ccccc4)O[C@@]3([C@](C=C1)(CC21OCCO1)[H])[H])[H])Br
SPLASH splash10-000i-9000000000-866a6e6054b722f1af2f
Source of Spectrum K-2001-2198-6
Synonyms (2S,3aS,4R,7R,7aS)-7-Bromo-3a,4,7,7a-tetrahydro-2-phenyl-4,7-ethano-1,3-benzodioxol-8-one ethylene acetal 7'-bromo-4'-phenyl-3',5'-dioxaspiro[1,3-dioxolane-2,8'-tricyclo[5.2.2.0(2,6)]undecan]-10'-ene
Wiley ID 1579631