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Carbamic acid, [3-[(acetyloxy)methyl]-1-[(tetrahydro-2H-pyran-2-yl)oxy]bicyclo[2.2.2]oct-5-en-2-yl]-, ethyl ester, (1.alpha.,2.alpha.,3.beta.,4.beta.)-(.+-.)-
SpectraBase Compound ID D7efnhIwyV9
InChI InChI=1S/C19H29NO6/c1-3-23-18(22)20-17-15(12-25-13(2)21)14-7-9-19(17,10-8-14)26-16-6-4-5-11-24-16/h7,9,14-17H,3-6,8,10-12H2,1-2H3,(H,20,22)/t14-,15-,16?,17+,19+/m1/s1
InChIKey BIZOTVMSHHBNGN-YDNDZJSUSA-N
Mol Weight 367.44 g/mol
Molecular Formula C19H29NO6
Exact Mass 367.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ObVfp96yai
Name Carbamic acid, [3-[(acetyloxy)methyl]-1-[(tetrahydro-2H-pyran-2-yl)oxy]bicyclo[2.2.2]oct-5-en-2-yl]-, ethyl ester, (1.alpha.,2.alpha.,3.beta.,4.beta.)-(.+-.)-
CAS Registry Number 119756-58-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29NO6
InChI InChI=1S/C19H29NO6/c1-3-23-18(22)20-17-15(12-25-13(2)21)14-7-9-19(17,10-8-14)26-16-6-4-5-11-24-16/h7,9,14-17H,3-6,8,10-12H2,1-2H3,(H,20,22)/t14-,15-,16?,17+,19+/m1/s1
InChIKey BIZOTVMSHHBNGN-YDNDZJSUSA-N
Molecular Weight 367.442 g/mol
SMILES N([C@@]1([C@@]2(C=C[C@@](CC2)([H])[C@]1(COC(=O)C)[H])OC1OCCCC1)[H])C(=O)OCC
SPLASH splash10-002s-9710000000-b96dd0af43208222862e
Source of Spectrum F-44-3940-0
Synonyms 5-exo-acetoxymethyl-6-endo-ethoxycarbonylamino-1-(2'-tetrahydropyranyloxy)bicyclo[2.2.2]oct-2-ene [(1S,2R,3S,4R)-3-[(ethoxycarbonyl)amino]-4-(tetrahydro-2H-pyran-2-yloxy)bicyclo[2.2.2]oct-5-en-2-yl]methyl acetate
Wiley ID 1352516