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3-Thia-1-azatricyclo[5.2.2.0(2,6)]undeca-2(6),4-diene-5-carboxylic acid, 4-amino-, ethyl ester
SpectraBase Compound ID 5mXUe8IzuL8
InChI InChI=1S/C12H16N2O2S/c1-2-16-12(15)9-8-7-3-5-14(6-4-7)11(8)17-10(9)13/h7H,2-6,13H2,1H3
InChIKey VEEARKIVPVIRAK-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C12H16N2O2S
Exact Mass 252.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FM9IC3LVr7T
Name 3-Thia-1-azatricyclo[5.2.2.0(2,6)]undeca-2(6),4-diene-5-carboxylic acid, 4-amino-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O2S
InChI InChI=1S/C12H16N2O2S/c1-2-16-12(15)9-8-7-3-5-14(6-4-7)11(8)17-10(9)13/h7H,2-6,13H2,1H3
InChIKey VEEARKIVPVIRAK-UHFFFAOYSA-N
Molecular Weight 252.332 g/mol
SMILES Nc1sc2N3CCC(c2c1C(=O)OCC)CC3
SPLASH splash10-00b9-3940000000-cc27a34988613787e29c
Source of Spectrum IY-1-4404-5
Wiley ID 1652028