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3,7,8-Triazatricyclo[4.3.0.02,5]non-7-ene-3-carboxylic acid, 9,9-dimethyl-, methyl ester, (1.alpha.,2.beta.,5.beta.,6.alpha.)-
SpectraBase Compound ID CW8jc6BN50F
InChI InChI=1S/C10H15N3O2/c1-10(2)6-7(11-12-10)5-4-13(8(5)6)9(14)15-3/h5-8H,4H2,1-3H3/t5-,6-,7-,8-/m1/s1
InChIKey WJLDOBSFYMOXSP-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 FPly8NFueMY
Name 3,7,8-Triazatricyclo[4.3.0.02,5]non-7-ene-3-carboxylic acid, 9,9-dimethyl-, methyl ester, (1.alpha.,2.beta.,5.beta.,6.alpha.)-
Alternate Name(s) methyl (1S,2R,5S,6R)-9,9-dimethyl-3,7,8-triazatricyclo[4.3.0.0(2,5)]non-7-ene-3-carboxylate Methyl(1.alpha.,2.beta.,5.beta.,6.alpha.)-9,9-dimethyl-3,7,8-triazatricyclo[4.3.0.0(2,5)]none-7-ene-3-carboxylate
CAS Registry Number 105252-51-5
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)6-7(11-12-10)5-4-13(8(5)6)9(14)15-3/h5-8H,4H2,1-3H3/t5-,6-,7-,8-/m1/s1
InChIKey WJLDOBSFYMOXSP-WCTZXXKLSA-N
Molecular Weight 209.249 g/mol
SMILES [C@]12(N(C[C@@]1([C@]1(N=NC([C@@]21[H])(C)C)[H])[H])C(=O)OC)[H]
SPLASH splash10-001i-0900000000-533fdf7dbc36232da17e
Source of Spectrum K-120-208-14
Wiley ID 1208029