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3,8,9-Triazatricyclo[4.3.0.02,5]non-8-ene-3-carboxylic acid, 7,7-dimethyl-, methyl ester, (1.alpha.,2.beta.,5.beta.,6.alpha.)-
SpectraBase Compound ID TPNkq0tAUm
InChI InChI=1S/C10H15N3O2/c1-10(2)6-5-4-13(9(14)15-3)8(5)7(6)11-12-10/h5-8H,4H2,1-3H3/t5-,6-,7-,8-/m1/s1
InChIKey OGBOZNOYFKGREQ-WCTZXXKLSA-N
Mol Weight 209.25 g/mol
Molecular Formula C10H15N3O2
Exact Mass 209.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EfwLVjAvCI1
Name 3,8,9-Triazatricyclo[4.3.0.02,5]non-8-ene-3-carboxylic acid, 7,7-dimethyl-, methyl ester, (1.alpha.,2.beta.,5.beta.,6.alpha.)-
CAS Registry Number 105252-52-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15N3O2
InChI InChI=1S/C10H15N3O2/c1-10(2)6-5-4-13(9(14)15-3)8(5)7(6)11-12-10/h5-8H,4H2,1-3H3/t5-,6-,7-,8-/m1/s1
InChIKey OGBOZNOYFKGREQ-WCTZXXKLSA-N
Molecular Weight 209.249 g/mol
SMILES [C@]12(N(C[C@@]1([C@]1(C(N=N[C@@]21[H])(C)C)[H])[H])C(=O)OC)[H]
SPLASH splash10-001i-0900000000-dfcb4614c49347759c5c
Source of Spectrum K-120-208-15
Synonyms methyl (1R,2R,5S,6R)-7,7-dimethyl-3,8,9-triazatricyclo[4.3.0.0(2,5)]non-8-ene-3-carboxylate Methyl(1.alpha.,2.beta.,5.beta.,6.alpha.)-7,7-dimethyl-3,8,9-triazatricyclo[4.3.0.0(2,5)]none-8-ene-3-carboxylate
Wiley ID 1208030