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Bicyclo[2.2.1]heptane, 2-chloro-3-(phenylthio)-, (2R,3R)-

View entire compound with spectra: 1 NMR

Bicyclo[2.2.1]heptane, 2-chloro-3-(phenylthio)-, (2R,3R)-
SpectraBase Compound ID DxVSTlyilN6
InChI InChI=1S/C13H15ClS/c14-12-9-6-7-10(8-9)13(12)15-11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2/t9-,10+,12-,13-/m1/s1
InChIKey XMBLAWDXKHLLPW-LYIQGSDWSA-N
Mol Weight 238.78 g/mol
Molecular Formula C13H15ClS
Exact Mass 238.058299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHQ03guNOVh
Name Bicyclo[2.2.1]heptane, 2-chloro-3-(phenylthio)-, (2R,3R)-
Comments Computed using HOSE algorithm
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Exact Mass 238.058299357 u
Formula C13H15ClS
InChI InChI=1S/C13H15ClS/c14-12-9-6-7-10(8-9)13(12)15-11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2/t9-,10+,12-,13-/m1/s1
InChIKey XMBLAWDXKHLLPW-LYIQGSDWSA-N
Molecular Weight 238.776 g/mol
SMILES C1C[C@@]2([C@]([C@@]([C@]1(C2)[H])(Cl)[H])(SC1=CC=CC=C1)[H])[H]