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(1S,2R,6S)-4-bromo-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl 2-chloroacetate
SpectraBase Compound ID 4WiOBQD28L5
InChI InChI=1S/C8H6BrClO4/c9-3-1-4(13-5(11)2-10)7-8(14-7)6(3)12/h1,4,7-8H,2H2/t4-,7+,8-/m1/s1
InChIKey ZRTNECKEHPWOQF-BTZDVCGTSA-N
Mol Weight 281.49 g/mol
Molecular Formula C8H6BrClO4
Exact Mass 279.913799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETeJlybikiH
Name (1S,2R,6S)-4-bromo-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl 2-chloroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6BrClO4
InChI InChI=1S/C8H6BrClO4/c9-3-1-4(13-5(11)2-10)7-8(14-7)6(3)12/h1,4,7-8H,2H2/t4-,7+,8-/m1/s1
InChIKey ZRTNECKEHPWOQF-BTZDVCGTSA-N
Literature Reference DOI 10.1021/ol9016657
Molecular Weight 281.489 g/mol
SMILES [C@]1([C@]2([C@](O2)(C(=O)C(=C1)Br)[H])[H])(OC(CCl)=O)[H]
SPLASH splash10-0fb9-9340000000-7316bbe239a0eb3f52ef
Source of Spectrum A1-11-4290/SMS8-23
Synonyms 2-Chloroacetic acid [(1S,2R,6S)-4-bromo-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl] ester [(1S,2R,6S)-4-bromo-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl] 2-chloroacetate [(1S,2R,6S)-4-bromanyl-5-oxidanylidene-7-oxabicyclo[4.1.0]hept-3-en-2-yl] 2-chloranylethanoate
Wiley ID 1757401