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(1R,5S,6S)Methyl3-(2-bromophenylmethyl)-8-benzyl-4-methylene-2-oxo-3,8-diazabicyclo[3.2.1]octane-6-exo-6-carboxylate
SpectraBase Compound ID 2PR3m4BV2m3
InChI InChI=1S/C23H23BrN2O3/c1-15-21-18(23(28)29-2)12-20(26(21)13-16-8-4-3-5-9-16)22(27)25(15)14-17-10-6-7-11-19(17)24/h3-11,18,20-21H,1,12-14H2,2H3/t18-,20+,21+/m0/s1
InChIKey HPIHQZWUKQJZJI-CEWLAPEOSA-N
Mol Weight 455.35 g/mol
Molecular Formula C23H23BrN2O3
Exact Mass 454.089206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Ed1g6LaeLu
Name (1R,5S,6S)Methyl3-(2-bromophenylmethyl)-8-benzyl-4-methylene-2-oxo-3,8-diazabicyclo[3.2.1]octane-6-exo-6-carboxylate
Alternate Name(s) Methyl (1R,5S,6S)-8-benzyl-3-(2-bromobenzyl)-4-methylene-2-oxo-3,8-diazabicyclo[3.2.1]octane-6-carboxylate Methyl 3-(2-bromophenylmethyl)-8-benzyl-4-methylene-2-oxo-3,8-diazabicyclo[3.2.1]octane-6-exo-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23BrN2O3
InChI InChI=1S/C23H23BrN2O3/c1-15-21-18(23(28)29-2)12-20(26(21)13-16-8-4-3-5-9-16)22(27)25(15)14-17-10-6-7-11-19(17)24/h3-11,18,20-21H,1,12-14H2,2H3/t18-,20+,21+/m0/s1
InChIKey HPIHQZWUKQJZJI-CEWLAPEOSA-N
Molecular Weight 455.352 g/mol
SMILES C1(N(C([C@]2(C[C@@]([C@@]1(N2Cc1ccccc1)[H])(C(=O)OC)[H])[H])=O)Cc1c(Br)cccc1)=C
SPLASH splash10-00kf-9605000000-c8736aadb5bf2f7d5cda
Source of Spectrum H1-40-987-6
Wiley ID 756968