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(1S,4aR,9aS)-8-Chloro-2,3,4,4a,9,9a-hexahydro-1H-xanthene-1,7-diol

View entire compound with spectra: 1 MS (GC)

(1S,4aR,9aS)-8-Chloro-2,3,4,4a,9,9a-hexahydro-1H-xanthene-1,7-diol
SpectraBase Compound ID 2VUiZqsIque
InChI InChI=1S/C13H15ClO3/c14-13-8-6-7-9(15)2-1-3-11(7)17-12(8)5-4-10(13)16/h4-5,7,9,11,15-16H,1-3,6H2/t7-,9-,11+/m0/s1
InChIKey UADGFZUIGTWFRZ-OVYXKVPISA-N
Mol Weight 254.71 g/mol
Molecular Formula C13H15ClO3
Exact Mass 254.070972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0uu5mEjGym
Name (1S,4aR,9aS)-8-Chloro-2,3,4,4a,9,9a-hexahydro-1H-xanthene-1,7-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15ClO3
InChI InChI=1S/C13H15ClO3/c14-13-8-6-7-9(15)2-1-3-11(7)17-12(8)5-4-10(13)16/h4-5,7,9,11,15-16H,1-3,6H2/t7-,9-,11+/m0/s1
InChIKey UADGFZUIGTWFRZ-OVYXKVPISA-N
Molecular Weight 254.713 g/mol
SMILES O[C@@]1([C@]2([C@](Oc3c(c(c(cc3)O)Cl)C2)(CCC1)[H])[H])[H]
SPLASH splash10-0pb9-0190000000-a085ee272ce77f93253c
Source of Spectrum U1-2009-5583-10
Wiley ID 1714198