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6,7-Dihydro-7-chloro-Atholactone
SpectraBase Compound ID B0chf8DdG7L
InChI InChI=1S/C13H13ClO4/c14-8-6-9(15)17-13-10(16)11(18-12(8)13)7-4-2-1-3-5-7/h1-5,8,10-13,16H,6H2/t8-,10-,11-,12+,13+/m1/s1
InChIKey OXSPAARCIVSMEO-XTAFZBPGSA-N
Mol Weight 268.7 g/mol
Molecular Formula C13H13ClO4
Exact Mass 268.050237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mcJrBrU9oK
Name 6,7-Dihydro-7-chloro-Atholactone
Alternate Name(s) (2R,3R,3aS,7R,7aR)-7-chloranyl-3-oxidanyl-2-phenyl-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one
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Formula C13H13ClO4
InChI InChI=1S/C13H13ClO4/c14-8-6-9(15)17-13-10(16)11(18-12(8)13)7-4-2-1-3-5-7/h1-5,8,10-13,16H,6H2/t8-,10-,11-,12+,13+/m1/s1
InChIKey OXSPAARCIVSMEO-XTAFZBPGSA-N
Molecular Weight 268.696 g/mol
SMILES O[C@]1([C@]2([C@@](O[C@@]1(c1ccccc1)[H])([C@](Cl)(CC(O2)=O)[H])[H])[H])[H]
SPLASH splash10-055e-9340000000-4a8efbbd799764975738
Source of Spectrum G4-62-1109-10
Wiley ID 1608003