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

*Links on SpectraBase are not permalinks.
2,4,6-trinitro-3-pentadecyl-phenol
SpectraBase Compound ID AXfnq8jk3Nu
InChI InChI=1S/C21H33N3O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(22(26)27)16-19(23(28)29)21(25)20(17)24(30)31/h16,25H,2-15H2,1H3
InChIKey POLUINZFGXQZBP-UHFFFAOYSA-N
Mol Weight 439.5 g/mol
Molecular Formula C21H33N3O7
Exact Mass 439.23185 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 3MBm9Wsvy50
Name 2,4,6-trinitro-3-pentadecyl-phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33N3O7
InChI InChI=1S/C21H33N3O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(22(26)27)16-19(23(28)29)21(25)20(17)24(30)31/h16,25H,2-15H2,1H3
InChIKey POLUINZFGXQZBP-UHFFFAOYSA-N
Molecular Weight 439.509 g/mol
SMILES Oc1c(N(=O)=O)cc(c(c1N(=O)=O)CCCCCCCCCCCCCCC)N(=O)=O
SPLASH splash10-0udl-0000900000-1c9fc0d463d925fa213d
Source of Spectrum F-62-6118-12
Wiley ID 1633916