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3-[(1S,2S)-1-chloranyl-2-oxidanyl-butyl]isochromen-1-one
SpectraBase Compound ID 4bBeDVbnZRR
InChI InChI=1S/C13H13ClO3/c1-2-10(15)12(14)11-7-8-5-3-4-6-9(8)13(16)17-11/h3-7,10,12,15H,2H2,1H3/t10-,12-/m0/s1
InChIKey QGNNZFNMKFYMGM-JQWIXIFHSA-N
Mol Weight 252.7 g/mol
Molecular Formula C13H13ClO3
Exact Mass 252.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G90LhIhoZhB
Name 3-[(1S,2S)-1-chloranyl-2-oxidanyl-butyl]isochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClO3
InChI InChI=1S/C13H13ClO3/c1-2-10(15)12(14)11-7-8-5-3-4-6-9(8)13(16)17-11/h3-7,10,12,15H,2H2,1H3/t10-,12-/m0/s1
InChIKey QGNNZFNMKFYMGM-JQWIXIFHSA-N
Molecular Weight 252.697 g/mol
SMILES O[C@]([C@@](C=1OC(=O)c2c(C1)cccc2)(Cl)[H])(CC)[H]
SPLASH splash10-0006-0900000000-3615242284e5f306db33
Source of Spectrum AH-134-1203-10
Synonyms 3-[(1S,2S)-1-chloro-2-hydroxy-butyl]isochromen-1-one 3-[(1S,2S)-1-chloro-2-hydroxy-butyl]isocoumarin 3-[(1S,2S)-1-chloro-2-hydroxybutyl]-2-benzopyran-1-one
Wiley ID 1546943