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(1R,2R,6S,7R,9R)-4,4-Diethyl-8-[(S)-1-phenylethyl]-3,5-dioxa-8-azatricyclo[5.2.1.0(2,6)]decane-9-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(1R,2R,6S,7R,9R)-4,4-Diethyl-8-[(S)-1-phenylethyl]-3,5-dioxa-8-azatricyclo[5.2.1.0(2,6)]decane-9-carboxylic acid methyl ester
SpectraBase Compound ID GkeJfd3UX3d
InChI InChI=1S/C21H29NO4/c1-5-21(6-2)25-18-15-12-16(19(18)26-21)22(17(15)20(23)24-4)13(3)14-10-8-7-9-11-14/h7-11,13,15-19H,5-6,12H2,1-4H3/t13-,15+,16+,17+,18+,19-/m0/s1
InChIKey WJCYJIUNOWNBOV-MFBYZBQNSA-N
Mol Weight 359.47 g/mol
Molecular Formula C21H29NO4
Exact Mass 359.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82GRXDwPg5h
Name (1R,2R,6S,7R,9R)-4,4-Diethyl-8-[(S)-1-phenylethyl]-3,5-dioxa-8-azatricyclo[5.2.1.0(2,6)]decane-9-carboxylic acid methyl ester
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Formula C21H29NO4
InChI InChI=1S/C21H29NO4/c1-5-21(6-2)25-18-15-12-16(19(18)26-21)22(17(15)20(23)24-4)13(3)14-10-8-7-9-11-14/h7-11,13,15-19H,5-6,12H2,1-4H3/t13-,15+,16+,17+,18+,19-/m0/s1
InChIKey WJCYJIUNOWNBOV-MFBYZBQNSA-N
Molecular Weight 359.466 g/mol
SMILES [C@]12(N([C@]([C@@]([C@]3(OC(O[C@@]23[H])(CC)CC)[H])([H])C1)(C(=O)OC)[H])[C@](c1ccccc1)(C)[H])[H]
SPLASH splash10-004i-1895000000-c714082394e51066917e
Source of Spectrum QE-7-1434-4
Synonyms Methyl (1R,2R,6S,7R,9R)-4,4-diethyl-8-[(1S)-1-phenylethyl]-3,5-dioxa-8-azatricyclo[5.2.1.0(2,6)]decane-9-carboxylate
Wiley ID 845583