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Methyl endo-3-phenylsulfinyl-7-oxabicyclo[2.2.1]heptane-endo-2-carboxylate
SpectraBase Compound ID DjhdUxnxcaI
InChI InChI=1S/C14H16O4S/c1-17-14(15)12-10-7-8-11(18-10)13(12)19(16)9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/t10-,11+,12?,13?,19?/m0/s1
InChIKey FIGGIEOGXBWOFC-XNJQYPSMSA-N
Mol Weight 280.34 g/mol
Molecular Formula C14H16O4S
Exact Mass 280.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yYkbt5BxmL
Name Methyl endo-3-phenylsulfinyl-7-oxabicyclo[2.2.1]heptane-endo-2-carboxylate
Alternate Name(s) Methyl exo-3-phenylsulfinyl-7-oxabicyclo[2.2.1]heptane-exo-2-carboxylate Methyl 3-(phenylsulfinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CAS Registry Number 106758-53-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O4S
InChI InChI=1S/C14H16O4S/c1-17-14(15)12-10-7-8-11(18-10)13(12)19(16)9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/t10-,11+,12?,13?,19?/m0/s1
InChIKey FIGGIEOGXBWOFC-XNJQYPSMSA-N
Molecular Weight 280.338 g/mol
SMILES C1(C([C@]2(O[C@@]1(CC2)[H])[H])C(=O)OC)S(=O)c1ccccc1
SPLASH splash10-01ba-9610000000-b4f49d9a6a0b5ea8964a
Source of Spectrum B-39-585-7
Wiley ID 1283578