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anti-(2R,3S)-2,3-Dibromo-3-(4-heptyloxyphenyl)propanoic acid
SpectraBase Compound ID 906LeA4KXOF
InChI InChI=1S/C16H22Br2O3/c1-2-3-4-5-6-11-21-13-9-7-12(8-10-13)14(17)15(18)16(19)20/h7-10,14-15H,2-6,11H2,1H3,(H,19,20)/t14-,15-/m0/s1
InChIKey UZGHUXOZKJQPTP-GJZGRUSLSA-N
Mol Weight 422.16 g/mol
Molecular Formula C16H22Br2O3
Exact Mass 419.993571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxKonpGjeav
Name anti-(2R,3S)-2,3-Dibromo-3-(4-heptyloxyphenyl)propanoic acid
Alternate Name(s) (2R,3S)-2,3-dibromo-3-[4-(heptyloxy)phenyl]propanoic acid anti-2,3-Dibromo-3-(4-heptyloxyphenyl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22Br2O3
InChI InChI=1S/C16H22Br2O3/c1-2-3-4-5-6-11-21-13-9-7-12(8-10-13)14(17)15(18)16(19)20/h7-10,14-15H,2-6,11H2,1H3,(H,19,20)/t14-,15-/m0/s1
InChIKey UZGHUXOZKJQPTP-GJZGRUSLSA-N
Molecular Weight 422.157 g/mol
SMILES OC([C@]([C@](c1ccc(cc1)OCCCCCCC)(Br)[H])(Br)[H])=O
SPLASH splash10-0002-0900300000-8a6bffaa0a0723caa16d
Source of Spectrum KC-61-4048-2
Wiley ID 1628757