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6,10-Methanopyrimido[5,4-d]azocine-7(6H)-carboxylic acid, 5,8,9,10-tetrahydro-, methyl ester
SpectraBase Compound ID 8wE440RXIRL
InChI InChI=1S/C12H15N3O2/c1-17-12(16)15-3-2-8-4-10(15)5-9-6-13-7-14-11(8)9/h6-8,10H,2-5H2,1H3/t8-,10+/m1/s1
InChIKey OBJIDHFWULOYRT-SCZZXKLOSA-N
Mol Weight 233.27 g/mol
Molecular Formula C12H15N3O2
Exact Mass 233.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8PFCqSNOUFG
Name 6,10-Methanopyrimido[5,4-d]azocine-7(6H)-carboxylic acid, 5,8,9,10-tetrahydro-, methyl ester
Alternate Name(s) 7-(carbomethoxy)-5,6,7,8,9,10-hexahydro-6,10-methanopyrimido[5,4-d]azocine Methyl 3,5,10-triazatricyclo[7.3.1.0(2,7)]trideca-2,4,6-triene-10-carboxylate
CAS Registry Number 81572-11-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3O2
InChI InChI=1S/C12H15N3O2/c1-17-12(16)15-3-2-8-4-10(15)5-9-6-13-7-14-11(8)9/h6-8,10H,2-5H2,1H3/t8-,10+/m1/s1
InChIKey OBJIDHFWULOYRT-SCZZXKLOSA-N
Molecular Weight 233.271 g/mol
SMILES [C@@]12(N(CC[C@@](c3ncncc3C2)(C1)[H])C(=O)OC)[H]
SPLASH splash10-001i-0950000000-178648ad6a5f7a1941c1
Source of Spectrum J-47-2674-0
Wiley ID 1234831