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

*Links on SpectraBase are not permalinks.
Isoquinoline, 6,7-dimethoxy-8-nitro-1-[2-nitro-1-(nitromethyl)ethyl]-
SpectraBase Compound ID 3Ul36yFSPN2
InChI InChI=1S/C14H14N4O8/c1-25-10-5-8-3-4-15-12(9(6-16(19)20)7-17(21)22)11(8)13(18(23)24)14(10)26-2/h3-5,9H,6-7H2,1-2H3
InChIKey KOYHUVXRKVXNMO-UHFFFAOYSA-N
Mol Weight 366.29 g/mol
Molecular Formula C14H14N4O8
Exact Mass 366.081163 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 BRocTvWAxgt
Name Isoquinoline, 6,7-dimethoxy-8-nitro-1-[2-nitro-1-(nitromethyl)ethyl]-
Alternate Name(s) 2-(6,7-Dimethoxy-8-nitro-1-isoquinolyl)-1,3-dinitropropane 6,7-Dimethoxy-8-nitro-1-[2-nitro-1-(nitromethyl)ethyl]isoquinoline
CAS Registry Number 128428-54-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N4O8
InChI InChI=1S/C14H14N4O8/c1-25-10-5-8-3-4-15-12(9(6-16(19)20)7-17(21)22)11(8)13(18(23)24)14(10)26-2/h3-5,9H,6-7H2,1-2H3
InChIKey KOYHUVXRKVXNMO-UHFFFAOYSA-N
Molecular Weight 366.286 g/mol
SMILES c1(c2c(C(CN(=O)=O)CN(=O)=O)nccc2cc(c1OC)OC)N(=O)=O
SPLASH splash10-01bc-0091000000-7fd08c242aeb7e0751e7
Source of Spectrum KC-1990-3197-3
Wiley ID 1351634