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

*Links on SpectraBase are not permalinks.
2-[(3,5-Dinitrobenzoyl)oxy]-1-methylethyl 3,5-dinitrobenzoate
SpectraBase Compound ID JSDfZUJJ334
InChI InChI=1S/C17H12N4O12/c1-9(33-17(23)11-4-14(20(28)29)7-15(5-11)21(30)31)8-32-16(22)10-2-12(18(24)25)6-13(3-10)19(26)27/h2-7,9H,8H2,1H3
InChIKey WIIUJIADHMYMHT-UHFFFAOYSA-N
Mol Weight 464.3 g/mol
Molecular Formula C17H12N4O12
Exact Mass 464.045172 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 GKKVt02kuPJ
Name 2-[(3,5-Dinitrobenzoyl)oxy]-1-methylethyl 3,5-dinitrobenzoate
CAS Registry Number 7510-61-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12N4O12
InChI InChI=1S/C17H12N4O12/c1-9(33-17(23)11-4-14(20(28)29)7-15(5-11)21(30)31)8-32-16(22)10-2-12(18(24)25)6-13(3-10)19(26)27/h2-7,9H,8H2,1H3
InChIKey WIIUJIADHMYMHT-UHFFFAOYSA-N
Molecular Weight 464.299 g/mol
SMILES C(OCC(OC(=O)c1cc(N(=O)=O)cc(c1)N(=O)=O)C)(=O)c1cc(N(=O)=O)cc(c1)N(=O)=O
SPLASH splash10-0002-3910000000-c11e6c4605029bd89117
Synonyms 1,2-Propanediol, bis(3,5-dinitrobenzoate) 2-(3,5-dinitrobenzoyl)oxypropyl 3,5-dinitrobenzoate 2-(3,5-dinitrophenyl)carbonyloxypropyl 3,5-dinitrobenzoate 3,5-Dinitrobenzoic acid 2-(3,5-dinitrobenzoyl)oxypropyl ester 3,5-Dinitrobenzoic acid 2-[(3,5-dinitrophenyl)-oxomethoxy]propyl ester
Wiley ID 1486298