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1-Methyl-5,6-O-isopropylidene-3-oxa-2-azabicyclo[2.2.2]oct-7-ene-5,6-diol, 2-acetyl
SpectraBase Compound ID 7sUcBERAStf
InChI InChI=1S/C12H17NO4/c1-7(14)13-12(4)6-5-8(17-13)9-10(12)16-11(2,3)15-9/h5-6,8-10H,1-4H3/t8-,9+,10+,12+/m1/s1
InChIKey XKLOGBHWDKUTHX-WDCWCFNPSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9R2r2LyNtFf
Name 1-Methyl-5,6-O-isopropylidene-3-oxa-2-azabicyclo[2.2.2]oct-7-ene-5,6-diol, 2-acetyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-7(14)13-12(4)6-5-8(17-13)9-10(12)16-11(2,3)15-9/h5-6,8-10H,1-4H3/t8-,9+,10+,12+/m1/s1
InChIKey XKLOGBHWDKUTHX-WDCWCFNPSA-N
Molecular Weight 239.271 g/mol
SMILES [C@@]12(N(O[C@@]([C@]3([C@@]2(OC(C)(C)O3)[H])[H])(C=C1)[H])C(=O)C)C
SPLASH splash10-0079-0290000000-387f2ae53f042a5a7c1f
Source of Spectrum F-66-3765-30
Wiley ID 1685417