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REL-(1R,3R,4S)-5-CHLORO-4-HYDROXY-8-METHOXY-1,3-DIMETHYLISOCHROMANE
SpectraBase Compound ID 3qEYCr6Raaz
InChI InChI=1S/C12H15ClO3/c1-6-10-9(15-3)5-4-8(13)11(10)12(14)7(2)16-6/h4-7,12,14H,1-3H3/t6-,7-,12-/m1/s1
InChIKey KZEYXYVYTCSQRC-NQYJQULFSA-N
Mol Weight 242.7 g/mol
Molecular Formula C12H15ClO3
Exact Mass 242.070972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHNfnhoEVIx
Name (1R,3R,4S)-5-chloranyl-8-methoxy-1,3-dimethyl-3,4-dihydro-1H-isochromen-4-ol
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Formula C12H15ClO3
InChI InChI=1S/C12H15ClO3/c1-6-10-9(15-3)5-4-8(13)11(10)12(14)7(2)16-6/h4-7,12,14H,1-3H3/t6-,7-,12-/m1/s1
InChIKey KZEYXYVYTCSQRC-NQYJQULFSA-N
Molecular Weight 242.702 g/mol
SMILES O[C@]1(c2c([C@@](C)(O[C@@]1(C)[H])[H])c(OC)ccc2Cl)[H]
SPLASH splash10-004i-0590000000-962e41063e0dd4702114
Source of Spectrum KC-0-3369-34
Synonyms (1R,3R,4S)-5-chloro-8-methoxy-1,3-dimethyl-3,4-dihydro-1H-2-benzopyran-4-ol (1R,3R,4S)-5-chloro-8-methoxy-1,3-dimethyl-3,4-dihydro-1H-isochromen-4-ol (1R,3R,4S)-5-chloro-8-methoxy-1,3-dimethyl-isochroman-4-ol
Wiley ID 823755