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(1R,2S,3R,4S)-3-(4-Methoxy-benzyloxycarbonylamino)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1R,2S,3R,4S)-3-(4-Methoxy-benzyloxycarbonylamino)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid methyl ester
SpectraBase Compound ID 7MP17J4EVC3
InChI InChI=1S/C18H21NO5/c1-22-14-7-3-11(4-8-14)10-24-18(21)19-16-13-6-5-12(9-13)15(16)17(20)23-2/h3-8,12-13,15-16H,9-10H2,1-2H3,(H,19,21)/t12-,13+,15-,16+/m0/s1
InChIKey UYUUEPOHKKZMAA-LQKXBSAESA-N
Mol Weight 331.37 g/mol
Molecular Formula C18H21NO5
Exact Mass 331.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5aazIv2qbud
Name (1R,2S,3R,4S)-3-(4-Methoxy-benzyloxycarbonylamino)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.141972775 u
Formula C18H21NO5
InChI InChI=1S/C18H21NO5/c1-22-14-7-3-11(4-8-14)10-24-18(21)19-16-13-6-5-12(9-13)15(16)17(20)23-2/h3-8,12-13,15-16H,9-10H2,1-2H3,(H,19,21)/t12-,13+,15-,16+/m0/s1
InChIKey UYUUEPOHKKZMAA-LQKXBSAESA-N
Molecular Weight 331.368 g/mol
SMILES [C@@]1([C@@]([C@]2(C[C@@]1(C=C2)[H])[H])(NC(=O)OCC1=CC=C(C=C1)OC)[H])(C(=O)OC)[H]