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(1R,3aR,4S,7R,7aR)-Methyl 1-methoxymethoxymethyl-3-trifluoromethanesulfonyloxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoinden-2-carboxylate

View entire compound with spectra: 1 MS (GC)

(1R,3aR,4S,7R,7aR)-Methyl 1-methoxymethoxymethyl-3-trifluoromethanesulfonyloxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoinden-2-carboxylate
SpectraBase Compound ID BPrceOd2Uor
InChI InChI=1S/C16H19F3O7S/c1-23-7-25-6-10-11-8-3-4-9(5-8)12(11)14(13(10)15(20)24-2)26-27(21,22)16(17,18)19/h3-4,8-12H,5-7H2,1-2H3/t8-,9+,10+,11+,12+/m0/s1
InChIKey UZPBKKQVGLHLIC-VSSNEEPJSA-N
Mol Weight 412.38 g/mol
Molecular Formula C16H19F3O7S
Exact Mass 412.080359 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHmmwVQGBo0
Name (1R,3aR,4S,7R,7aR)-Methyl 1-methoxymethoxymethyl-3-trifluoromethanesulfonyloxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoinden-2-carboxylate
Alternate Name(s) Methyl (1S,2R,5R,6R,7R)-5-[(methoxymethoxy)methyl]-3-{[(trifluoromethyl)sulfonyl]oxy}tricyclo[5.2.1.0(2,6)]deca-3,8-diene-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19F3O7S
InChI InChI=1S/C16H19F3O7S/c1-23-7-25-6-10-11-8-3-4-9(5-8)12(11)14(13(10)15(20)24-2)26-27(21,22)16(17,18)19/h3-4,8-12H,5-7H2,1-2H3/t8-,9+,10+,11+,12+/m0/s1
InChIKey UZPBKKQVGLHLIC-VSSNEEPJSA-N
Molecular Weight 412.376 g/mol
SMILES C1(OS(C(F)(F)F)(=O)=O)=C([C@](COCOC)([C@@]2([C@]1([C@@]1(C=C[C@@]2([H])C1)[H])[H])[H])[H])C(=O)OC
SPLASH splash10-014i-8139000000-0563353c115f60c902f4
Source of Spectrum F-70-1661-0
Wiley ID 1596271