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

*Links on SpectraBase are not permalinks.
1,3-Propanediol, 1-(4-nitrophenyl)-, dinitrate (ester)
SpectraBase Compound ID BObV130IjME
InChI InChI=1S/C9H9N3O8/c13-10(14)8-3-1-7(2-4-8)9(20-12(17)18)5-6-19-11(15)16/h1-4,9H,5-6H2
InChIKey XJLIZCRPIDZVEU-UHFFFAOYSA-N
Mol Weight 287.18 g/mol
Molecular Formula C9H9N3O8
Exact Mass 287.038964 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 1UDeEywLzs
Name 1,3-Propanediol, 1-(4-nitrophenyl)-, dinitrate (ester)
CAS Registry Number 58678-84-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N3O8
InChI InChI=1S/C9H9N3O8/c13-10(14)8-3-1-7(2-4-8)9(20-12(17)18)5-6-19-11(15)16/h1-4,9H,5-6H2
InChIKey XJLIZCRPIDZVEU-UHFFFAOYSA-N
Molecular Weight 287.184 g/mol
SMILES C(ON(=O)=O)(c1ccc(N(=O)=O)cc1)CCON(=O)=O
SPLASH splash10-0f92-9500000000-6bd571b8c986b7fd8882
Source of Spectrum AN-84-1198-0
Synonyms 1-(4-Nitrophenyl)1,3-propyl dinitrate 3-(nitrooxy)-1-(4-nitrophenyl)propyl nitrate
Wiley ID 1290562