For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2,4-Bis(pivaloylamino)-9-ethynyl-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine

View entire compound with spectra: 1 MS (GC)

2,4-Bis(pivaloylamino)-9-ethynyl-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine
SpectraBase Compound ID G5XD3x5O5dZ
InChI InChI=1S/C22H31N5O2/c1-8-22-11-9-10-13(12-22)14-15(23-17(28)20(2,3)4)24-19(25-16(14)27-22)26-18(29)21(5,6)7/h1,13H,9-12H2,2-7H3,(H3,23,24,25,26,27,28,29)
InChIKey AAAJTXWQSVTPGE-UHFFFAOYSA-N
Mol Weight 397.52 g/mol
Molecular Formula C22H31N5O2
Exact Mass 397.247775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HikseuEi5uk
Name 2,4-Bis(pivaloylamino)-9-ethynyl-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine
Alternate Name(s) N-{3-[(2,2-dimethylpropanoyl)amino]-9-ethynyl-4,6,8-triazatricyclo[7.3.1.0(2,7)]trideca-2,4,6-trien-5-yl}-2,2-dimethylpropanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31N5O2
InChI InChI=1S/C22H31N5O2/c1-8-22-11-9-10-13(12-22)14-15(23-17(28)20(2,3)4)24-19(25-16(14)27-22)26-18(29)21(5,6)7/h1,13H,9-12H2,2-7H3,(H3,23,24,25,26,27,28,29)
InChIKey AAAJTXWQSVTPGE-UHFFFAOYSA-N
Molecular Weight 397.523 g/mol
SMILES N1C2(CCCC(c3c(nc(nc13)NC(C(C)(C)C)=O)NC(C(C)(C)C)=O)C2)C#C
SPLASH splash10-0006-0009000000-bfb4f7e92059e9582562
Source of Spectrum O1-61-120-10
Wiley ID 1592323