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3,4-Dibromochroman-2-one
SpectraBase Compound ID InvZ7JaotgQ
InChI InChI=1S/C9H6Br2O2/c10-7-5-3-1-2-4-6(5)13-9(12)8(7)11/h1-4,7-8H/t7-,8+/m1/s1
InChIKey KJKAAETZDLJFKU-SFYZADRCSA-N
Mol Weight 305.95 g/mol
Molecular Formula C9H6Br2O2
Exact Mass 303.873455 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JqPRBPs2OM0
Name 3,4-Dibromochroman-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6Br2O2
InChI InChI=1S/C9H6Br2O2/c10-7-5-3-1-2-4-6(5)13-9(12)8(7)11/h1-4,7-8H/t7-,8+/m1/s1
InChIKey KJKAAETZDLJFKU-SFYZADRCSA-N
Literature Reference DOI 10.1021/jo102239x
Molecular Weight 305.953 g/mol
SMILES [C@@]1(c2c(cccc2)OC([C@]1(Br)[H])=O)(Br)[H]
SPLASH splash10-014j-0911000000-14129b384a72a3c69e1a
Source of Spectrum J-76-736/SM3-1d
Synonyms (3R,4R)-3,4-dibromochroman-2-one (3R,4R)-3,4-dibromo-3,4-dihydro-2H-1-benzopyran-2-one (3R,4R)-3,4-dibromo-3,4-dihydrochromen-2-one (3R,4R)-3,4-bis(bromanyl)-3,4-dihydrochromen-2-one
Wiley ID 1755570