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Benzyl (1S,3S,4R)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
SpectraBase Compound ID 56bVRVdEpEl
InChI InChI=1S/C22H23NO2/c1-16(18-10-6-3-7-11-18)23-20-13-12-19(14-20)21(23)22(24)25-15-17-8-4-2-5-9-17/h2-13,16,19-21H,14-15H2,1H3/t16-,19+,20-,21+/m1/s1
InChIKey BDONQSMSTJBYNI-RCOXNQKVSA-N
Mol Weight 333.43 g/mol
Molecular Formula C22H23NO2
Exact Mass 333.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCSHHDGOzEt
Name Benzyl (1S,3S,4R)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO2
InChI InChI=1S/C22H23NO2/c1-16(18-10-6-3-7-11-18)23-20-13-12-19(14-20)21(23)22(24)25-15-17-8-4-2-5-9-17/h2-13,16,19-21H,14-15H2,1H3/t16-,19+,20-,21+/m1/s1
InChIKey BDONQSMSTJBYNI-RCOXNQKVSA-N
Molecular Weight 333.431 g/mol
SMILES [C@@]12(N([C@@]([C@](C=C2)([H])C1)(C(OCc1ccccc1)=O)[H])[C@@](c1ccccc1)(C)[H])[H]
SPLASH splash10-0a4i-1900000000-c0ba0935188439d9cf4c
Source of Spectrum AT-37-7580-5
Wiley ID 853730