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(E,5S,6S)-7-bromo-5,6-dihydroxy-2-heptenoic acid tert-butyl ester
SpectraBase Compound ID EiX1PEXA4EP
InChI InChI=1S/C11H19BrO4/c1-11(2,3)16-10(15)6-4-5-8(13)9(14)7-12/h4,6,8-9,13-14H,5,7H2,1-3H3/b6-4+/t8-,9+/m0/s1
InChIKey URDPLXKZTBCIHO-HNEWHRDISA-N
Mol Weight 295.17 g/mol
Molecular Formula C11H19BrO4
Exact Mass 294.046672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8R2OBvsSZYT
Name (E,5S,6S)-7-bromo-5,6-dihydroxy-2-heptenoic acid tert-butyl ester
Alternate Name(s) (E,5S,6S)-7-bromo-5,6-dihydroxy-hept-2-enoic acid tert-butyl ester tert-Butyl (E,5S,6S)-7-bromanyl-5,6-bis(oxidanyl)hept-2-enoate tert-Butyl (E,5S,6S)-7-bromo-5,6-dihydroxy-hept-2-enoate
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Formula C11H19BrO4
InChI InChI=1S/C11H19BrO4/c1-11(2,3)16-10(15)6-4-5-8(13)9(14)7-12/h4,6,8-9,13-14H,5,7H2,1-3H3/b6-4+/t8-,9+/m0/s1
InChIKey URDPLXKZTBCIHO-HNEWHRDISA-N
Molecular Weight 295.173 g/mol
SMILES O[C@@]([C@](C\C=C\C(OC(C)(C)C)=O)(O)[H])(CBr)[H]
SPLASH splash10-0ap0-9320000000-535621dc3170c1a72618
Source of Spectrum F-54-4777-14
Wiley ID 806719