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7.alpha.-Ethoxycarbonyl-9-methoxycarbonyl-(1H.beta.,6H.beta.)-9-azabicyclo[4.2.1]nona-2,4-diene
SpectraBase Compound ID CWKtoY2mPYX
InChI InChI=1S/C13H17NO4/c1-3-18-12(15)10-8-9-6-4-5-7-11(10)14(9)13(16)17-2/h4-7,9-11H,3,8H2,1-2H3/t9-,10-,11-/m0/s1
InChIKey DIFARUBBVJZMQO-DCAQKATOSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID d5SYEP7WaC
Name 7.alpha.-Ethoxycarbonyl-9-methoxycarbonyl-(1H.beta.,6H.beta.)-9-azabicyclo[4.2.1]nona-2,4-diene
Alternate Name(s) 7-Ethyl 9-methyl (1R,6S,7S)-9-azabicyclo[4.2.1]nona-2,4-diene-7,9-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-3-18-12(15)10-8-9-6-4-5-7-11(10)14(9)13(16)17-2/h4-7,9-11H,3,8H2,1-2H3/t9-,10-,11-/m0/s1
InChIKey DIFARUBBVJZMQO-DCAQKATOSA-N
Molecular Weight 251.282 g/mol
SMILES [C@@]12(N([C@](C[C@@]2(C(=O)OCC)[H])(C=CC=C1)[H])C(=O)OC)[H]
SPLASH splash10-0udi-0940000000-46a94a1c7984655ee5be
Source of Spectrum F-49-5505-19
Wiley ID 1254517