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1,4,10,13-Tetraaza-7,16-dioxacyclooctadecane-2,3,11,12-tetrone

View entire compound with spectra: 1 FTIR

1,4,10,13-Tetraaza-7,16-dioxacyclooctadecane-2,3,11,12-tetrone
SpectraBase Compound ID Eh4oebjO8rt
InChI InChI=1S/C12H20N4O6/c17-9-10(18)14-3-7-22-8-4-16-12(20)11(19)15-2-6-21-5-1-13-9/h1-8H2,(H,13,17)(H,14,18)(H,15,19)(H,16,20)
InChIKey BTLJYRUXSYAGCM-UHFFFAOYSA-N
Mol Weight 316.31 g/mol
Molecular Formula C12H20N4O6
Exact Mass 316.138284 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID fwpUURMs6x
Name 1,4,10,13-Tetraaza-7,16-dioxacyclooctadecane-2,3,11,12-tetrone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.138284374 u
Formula C12H20N4O6
InChI InChI=1S/C12H20N4O6/c17-9-10(18)14-3-7-22-8-4-16-12(20)11(19)15-2-6-21-5-1-13-9/h1-8H2,(H,13,17)(H,14,18)(H,15,19)(H,16,20)
InChIKey BTLJYRUXSYAGCM-UHFFFAOYSA-N
Molecular Weight 316.314 g/mol
SMILES C1(C(NCCOCCNC(C(=O)NCCOCCN1)=O)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974348