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[(1R,2S,5R )-3-Oxo-2-(phenylethoxy)-8-oxabicyclo[3.2.1]oct-6-en-6-yl] benzenecarbothioate
SpectraBase Compound ID Eq1ENCXRD8S
InChI InChI=1S/C22H20O4S/c23-17-13-18-19(26-22(27)16-9-5-2-6-10-16)14-20(25-18)21(17)24-12-11-15-7-3-1-4-8-15/h1-10,14,18,20-21H,11-13H2/t18-,20-,21+/m1/s1
InChIKey CZVWBPNFGYBPPE-NRSPTQNISA-N
Mol Weight 380.46 g/mol
Molecular Formula C22H20O4S
Exact Mass 380.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JhgGAAJJlFC
Name [(1R,2S,5R )-3-Oxo-2-(phenylethoxy)-8-oxabicyclo[3.2.1]oct-6-en-6-yl] benzenecarbothioate
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Formula C22H20O4S
InChI InChI=1S/C22H20O4S/c23-17-13-18-19(26-22(27)16-9-5-2-6-10-16)14-20(25-18)21(17)24-12-11-15-7-3-1-4-8-15/h1-10,14,18,20-21H,11-13H2/t18-,20-,21+/m1/s1
InChIKey CZVWBPNFGYBPPE-NRSPTQNISA-N
Molecular Weight 380.458 g/mol
SMILES C1(=C[C@@]2([C@@](OCCc3ccccc3)(C(C[C@]1(O2)[H])=O)[H])[H])OC(=S)c1ccccc1
SPLASH splash10-0a4i-0900000000-9577ad3f03baeb2d37da
Source of Spectrum OL-2-885-11
Synonyms (1R,2S)-S-[3'-Oxo-2'-(phenylethoxy)-8'-oxabicyclo[3.2.1]oct-6'-en-6'-yl]benzene-carbothioate
Wiley ID 1547480