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(3S,5S)-5-(4-bromophenyl)-3,5-dimethyl-2-oxolanone
SpectraBase Compound ID LdssW1RxhZd
InChI InChI=1S/C12H13BrO2/c1-8-7-12(2,15-11(8)14)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3/t8-,12-/m0/s1
InChIKey SZKHFKBYDCNPMJ-UFBFGSQYSA-N
Mol Weight 269.14 g/mol
Molecular Formula C12H13BrO2
Exact Mass 268.009893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7HDPHxd7S4T
Name (3S,5S)-5-(4-bromophenyl)-3,5-dimethyl-2-oxolanone
Alternate Name(s) (3S,5S)-5-(4-bromophenyl)-3,5-dimethyl-oxolan-2-one (3S,5S)-5-(4-bromophenyl)-3,5-dimethyl-tetrahydrofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13BrO2
InChI InChI=1S/C12H13BrO2/c1-8-7-12(2,15-11(8)14)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3/t8-,12-/m0/s1
InChIKey SZKHFKBYDCNPMJ-UFBFGSQYSA-N
Molecular Weight 269.138 g/mol
SMILES [C@]1(OC([C@](C1)(C)[H])=O)(c1ccc(cc1)Br)C
SPLASH splash10-0a59-0690000000-996e7a290e4bc5274ae6
Source of Spectrum J-66-3960-27
Wiley ID 1535320