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Chlorohydroaspyrone B
SpectraBase Compound ID 8b7dJOPrdAb
InChI InChI=1S/C9H13ClO4/c1-4(10)8(12)6-3-7(11)5(2)14-9(6)13/h3-5,7-8,11-12H,1-2H3/t4-,5+,7-,8+/m0/s1
InChIKey RFRJSDLXLVSACH-UGSJSWHKSA-N
Mol Weight 220.65 g/mol
Molecular Formula C9H13ClO4
Exact Mass 220.050237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3LbRhcwG0Eq
Name Chlorohydroaspyrone B
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13ClO4
InChI InChI=1S/C9H13ClO4/c1-4(10)8(12)6-3-7(11)5(2)14-9(6)13/h3-5,7-8,11-12H,1-2H3/t4-,5+,7-,8+/m0/s1
InChIKey RFRJSDLXLVSACH-UGSJSWHKSA-N
Molecular Weight 220.652 g/mol
SMILES O[C@@]1([C@](OC(C([C@@]([C@@](Cl)(C)[H])(O)[H])=C1)=O)(C)[H])[H]
SPLASH splash10-06ri-3900000000-b2c8aa6402e18d9303dc
Source of Spectrum G4-71-1460-2
Synonyms (2R,3S)-5-[(1S,2S)-2-chloro-1-hydroxypropyl]-3-hydroxy-2-methyl-2,3-dihydropyran-6-one (2R,3S)-5-[(1S,2S)-2-chloranyl-1-oxidanyl-propyl]-2-methyl-3-oxidanyl-2,3-dihydropyran-6-one
Wiley ID 1695074