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Dimethyl 2,3-diaza-7-(5'-((benzoyloxy)methyl)hex-5'-enylidene)bicyclo[2.2.1]heptane-2,3-dicarboxylate
SpectraBase Compound ID LlfZqD0Y3iT
InChI InChI=1S/C23H28N2O6/c1-16(15-31-21(26)17-10-5-4-6-11-17)9-7-8-12-18-19-13-14-20(18)25(23(28)30-3)24(19)22(27)29-2/h4-6,10-12,19-20H,1,7-9,13-15H2,2-3H3/b18-12-/t19-,20+/m0/s1
InChIKey MZYQWAVYUMAEGV-DWEUDFCVSA-N
Mol Weight 428.49 g/mol
Molecular Formula C23H28N2O6
Exact Mass 428.194737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LC8xkxLAj7
Name Dimethyl 2,3-diaza-7-(5'-((benzoyloxy)methyl)hex-5'-enylidene)bicyclo[2.2.1]heptane-2,3-dicarboxylate
CAS Registry Number 125877-58-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28N2O6
InChI InChI=1S/C23H28N2O6/c1-16(15-31-21(26)17-10-5-4-6-11-17)9-7-8-12-18-19-13-14-20(18)25(23(28)30-3)24(19)22(27)29-2/h4-6,10-12,19-20H,1,7-9,13-15H2,2-3H3/b18-12-/t19-,20+/m0/s1
InChIKey MZYQWAVYUMAEGV-DWEUDFCVSA-N
Molecular Weight 428.485 g/mol
SMILES [C@@]12(N(N([C@@](\C2=C\CCCC(=C)COC(=O)c2ccccc2)(CC1)[H])C(=O)OC)C(=O)OC)[H]
SPLASH splash10-0a4i-4900000000-f8deda3ca4a4dd508773
Source of Spectrum J-55-2746-0
Synonyms Dimethyl 7-{5-[(benzoyloxy)methyl]-5-hexenylidene}-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate
Wiley ID 1380694