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2-(S)-(o-Bromophenoxy)butanoic Acid (R)-Pantolactone Ester
SpectraBase Compound ID HaIQjfjegQh
InChI InChI=1S/C16H19BrO5/c1-4-11(21-12-8-6-5-7-10(12)17)14(18)22-13-15(19)20-9-16(13,2)3/h5-8,11,13H,4,9H2,1-3H3/t11-,13+/m0/s1
InChIKey VSZDBCGLCVSODX-WCQYABFASA-N
Mol Weight 371.23 g/mol
Molecular Formula C16H19BrO5
Exact Mass 370.041587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IdaBgm1aIV0
Name 2-(S)-(o-Bromophenoxy)butanoic Acid (R)-Pantolactone Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19BrO5
InChI InChI=1S/C16H19BrO5/c1-4-11(21-12-8-6-5-7-10(12)17)14(18)22-13-15(19)20-9-16(13,2)3/h5-8,11,13H,4,9H2,1-3H3/t11-,13+/m0/s1
InChIKey VSZDBCGLCVSODX-WCQYABFASA-N
Molecular Weight 371.227 g/mol
SMILES [C@]1(OC([C@@](Oc2c(Br)cccc2)(CC)[H])=O)(C(OCC1(C)C)=O)[H]
SPLASH splash10-01b9-9732000000-74b62d80f7bb82b7c76b
Source of Spectrum J-59-4685-4
Wiley ID 1354022