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

*Links on SpectraBase are not permalinks.
(6-Bromo-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)acetic acid
SpectraBase Compound ID 5sewjx7rsIZ
InChI InChI=1S/C10H12BrN3O6/c11-7-1-2-9(13(17)18)4-10(7,14(19)20)6-12(5-9)3-8(15)16/h1H,2-6H2,(H,15,16)
InChIKey LJZUOANBIHOMFH-UHFFFAOYSA-N
Mol Weight 350.13 g/mol
Molecular Formula C10H12BrN3O6
Exact Mass 348.990948 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 18iVhyUZdoI
Name (6-Bromo-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)acetic acid
CAS Registry Number 309275-65-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12BrN3O6
InChI InChI=1S/C10H12BrN3O6/c11-7-1-2-9(13(17)18)4-10(7,14(19)20)6-12(5-9)3-8(15)16/h1H,2-6H2,(H,15,16)
InChIKey LJZUOANBIHOMFH-UHFFFAOYSA-N
Molecular Weight 350.125 g/mol
SMILES OC(CN1CC2(N(=O)=O)CC(N(=O)=O)(C1)CC=C2Br)=O
SPLASH splash10-0pbc-9647000000-4827ee71e004c1816b92
Source of Spectrum AD-0-2532-0
Synonyms 2-(6-bromanyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)ethanoic acid 2-(6-bromanyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl)ethanoate 2-(6-bromo-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)acetic acid 2-(6-bromo-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl)acetate 3-Azabicyclo[3.3.1]non-6-ene-3-acetic acid, 6-bromo-1,5-dinitro-
Wiley ID 1430673