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(Z)-2-[(1R,4R,8S)-8-hydroxy-5-methyl-5-azabicyclo[2.2.2]oct-2-en-8-yl]hex-2-en-4-ynedioic acid dimethyl ester
SpectraBase Compound ID HLYfzwJ8bSV
InChI InChI=1S/C16H19NO5/c1-17-10-11-7-8-13(17)16(20,9-11)12(15(19)22-3)5-4-6-14(18)21-2/h5,7-8,11,13,20H,9-10H2,1-3H3/b12-5+/t11-,13+,16+/m1/s1
InChIKey KWNMBUYOAUAIMS-MMZSBSKUSA-N
Mol Weight 305.33 g/mol
Molecular Formula C16H19NO5
Exact Mass 305.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID alsZaqXEWQ
Name (Z)-2-[(1R,4R,8S)-8-hydroxy-5-methyl-5-azabicyclo[2.2.2]oct-2-en-8-yl]hex-2-en-4-ynedioic acid dimethyl ester
CAS Registry Number 120230-24-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO5
InChI InChI=1S/C16H19NO5/c1-17-10-11-7-8-13(17)16(20,9-11)12(15(19)22-3)5-4-6-14(18)21-2/h5,7-8,11,13,20H,9-10H2,1-3H3/b12-5+/t11-,13+,16+/m1/s1
InChIKey KWNMBUYOAUAIMS-MMZSBSKUSA-N
Molecular Weight 305.330 g/mol
SMILES O[C@@]1(\C(C(=O)OC)=C\C#CC(=O)OC)[C@]2(N(C)C[C@](C=C2)(C1)[H])[H]
SPLASH splash10-052f-7791000000-78857fc41945e45140cd
Source of Spectrum J-54-2901-58
Synonyms Dimethyl (Z)-2-[(1R,4R,8S)-5-methyl-8-oxidanyl-5-azabicyclo[2.2.2]oct-2-en-8-yl]hex-2-en-4-ynedioate Dimethyl (Z)-2-[(1R,4R,8S)-8-hydroxy-5-methyl-5-azabicyclo[2.2.2]oct-2-en-8-yl]hex-2-en-4-ynedioate
Wiley ID 1307273