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2,4-Bis(pivaloylamino)-9-allyl-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-allyl-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine
SpectraBase Compound ID EYZP8jfWdRN
InChI InChI=1S/C23H35N5O2/c1-8-11-23-12-9-10-14(13-23)15-16(24-18(29)21(2,3)4)25-20(26-17(15)28-23)27-19(30)22(5,6)7/h8,14H,1,9-13H2,2-7H3,(H3,24,25,26,27,28,29,30)
InChIKey CCPKWXCTXZYZBO-UHFFFAOYSA-N
Mol Weight 413.6 g/mol
Molecular Formula C23H35N5O2
Exact Mass 413.279075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8PNnzSClQqV
Name 2,4-Bis(pivaloylamino)-9-allyl-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine
Alternate Name(s) N-{9-allyl-3-[(2,2-dimethylpropanoyl)amino]-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 C23H35N5O2
InChI InChI=1S/C23H35N5O2/c1-8-11-23-12-9-10-14(13-23)15-16(24-18(29)21(2,3)4)25-20(26-17(15)28-23)27-19(30)22(5,6)7/h8,14H,1,9-13H2,2-7H3,(H3,24,25,26,27,28,29,30)
InChIKey CCPKWXCTXZYZBO-UHFFFAOYSA-N
Molecular Weight 413.566 g/mol
SMILES N1C2(CCCC(c3c(nc(nc13)NC(C(C)(C)C)=O)NC(C(C)(C)C)=O)C2)CC=C
SPLASH splash10-0a4i-0009100000-f78c54e653b8132a080c
Source of Spectrum O1-61-120-10
Wiley ID 1592324