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Benzene, 1,2-bis(hexyloxy)-4-nitro-

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Benzene, 1,2-bis(hexyloxy)-4-nitro-
SpectraBase Compound ID 3eckOLzPyec
InChI InChI=1S/C18H29NO4/c1-3-5-7-9-13-22-17-12-11-16(19(20)21)15-18(17)23-14-10-8-6-4-2/h11-12,15H,3-10,13-14H2,1-2H3
InChIKey VICCBFJYGOMECC-UHFFFAOYSA-N
Mol Weight 323.43 g/mol
Molecular Formula C18H29NO4
Exact Mass 323.209658 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JMY7QFzbCdz
Name Benzene, 1,2-bis(hexyloxy)-4-nitro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.209658414 u
Formula C18H29NO4
InChI InChI=1S/C18H29NO4/c1-3-5-7-9-13-22-17-12-11-16(19(20)21)15-18(17)23-14-10-8-6-4-2/h11-12,15H,3-10,13-14H2,1-2H3
InChIKey VICCBFJYGOMECC-UHFFFAOYSA-N
Molecular Weight 323.433 g/mol
SMILES CCCCCCOC1=C(C=C(N(=O)=O)C=C1)OCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862205