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2-Amino-4-chloro-5,6,7,8,9,10-hexahydro-9-hydroxy-5,9-methanopyrimido[4,5-b]azocine

View entire compound with spectra: 1 MS (GC)

2-Amino-4-chloro-5,6,7,8,9,10-hexahydro-9-hydroxy-5,9-methanopyrimido[4,5-b]azocine
SpectraBase Compound ID AS2aLbcvcXe
InChI InChI=1S/C10H13ClN4O/c11-7-6-5-2-1-3-10(16,4-5)15-8(6)14-9(12)13-7/h5,16H,1-4H2,(H3,12,13,14,15)
InChIKey IXJAIWFAPLWNJN-UHFFFAOYSA-N
Mol Weight 240.69 g/mol
Molecular Formula C10H13ClN4O
Exact Mass 240.077789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31danzeIMpJ
Name 2-Amino-4-chloro-5,6,7,8,9,10-hexahydro-9-hydroxy-5,9-methanopyrimido[4,5-b]azocine
Alternate Name(s) 5-Amino-3-chloro-4,6,8-triazatricyclo[7.3.1.0(2,7)]trideca-2,4,6-trien-9-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13ClN4O
InChI InChI=1S/C10H13ClN4O/c11-7-6-5-2-1-3-10(16,4-5)15-8(6)14-9(12)13-7/h5,16H,1-4H2,(H3,12,13,14,15)
InChIKey IXJAIWFAPLWNJN-UHFFFAOYSA-N
Molecular Weight 240.694 g/mol
SMILES N1C2(CCCC(c3c1nc(nc3Cl)N)C2)O
SPLASH splash10-0006-0900000000-8421a40376b84b6122ca
Source of Spectrum O1-61-117-4
Wiley ID 1592332