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10-Oxa-2,3-diazabicyclo[4.3.1]deca-1,4,7-triene-3-carboxylic acid, 6,9-dimethyl-, ethyl ester, endo-
SpectraBase Compound ID Fm77H3VEuiD
InChI InChI=1S/C12H16N2O3/c1-4-16-11(15)14-8-7-12(3)6-5-9(2)10(13-14)17-12/h5-9H,4H2,1-3H3/t9-,12+/m0/s1
InChIKey KOCRFKJYUVBTAF-JOYOIKCWSA-N
Mol Weight 236.27 g/mol
Molecular Formula C12H16N2O3
Exact Mass 236.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JAdcBZadvY
Name 10-Oxa-2,3-diazabicyclo[4.3.1]deca-1,4,7-triene-3-carboxylic acid, 6,9-dimethyl-, ethyl ester, endo-
CAS Registry Number 93847-61-1
Comments Less than 3 mono-isotopic peaks
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Formula C12H16N2O3
InChI InChI=1S/C12H16N2O3/c1-4-16-11(15)14-8-7-12(3)6-5-9(2)10(13-14)17-12/h5-9H,4H2,1-3H3/t9-,12+/m0/s1
InChIKey KOCRFKJYUVBTAF-JOYOIKCWSA-N
Molecular Weight 236.271 g/mol
SMILES C(N1N=C2O[C@@](C=C1)(C=C[C@@]2(C)[H])C)(=O)OCC
SPLASH splash10-00di-0910000000-3303c7dbd32ab5b6c628
Source of Spectrum I-62-2445-0
Synonyms (1.alpha.,6.alpha.,9.beta.)-6,9-dimethyl-3-ethoxycarbonyl-10-oxa-2,3-diazabicyclo[4.3.1]-1,4,7-decatriene ethyl (6R,9S)-6,9-dimethyl-10-oxa-2,3-diazabicyclo[4.3.1]deca-1,4,7-triene-3-carboxylate
Wiley ID 1237884