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2,2',2''-(1-oxa-4,7,10-triazacyclododecane-4,7,10-triyl)triethanol

View entire compound with spectra: 1 NMR, and 1 FTIR

2,2',2''-(1-oxa-4,7,10-triazacyclododecane-4,7,10-triyl)triethanol
SpectraBase Compound ID DVa9gnzdBme
InChI InChI=1S/C14H31N3O4/c18-10-5-15-1-3-16(6-11-19)8-13-21-14-9-17(4-2-15)7-12-20/h18-20H,1-14H2
InChIKey TUENNYSZDXTGLN-UHFFFAOYSA-N
Mol Weight 305.42 g/mol
Molecular Formula C14H31N3O4
Exact Mass 305.231456 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AoxQjCYPmNE
Name 2,2',2''-(1-oxa-4,7,10-triazacyclododecane-4,7,10-triyl)triethanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 305.231456486 u
Formula C14H31N3O4
InChI InChI=1S/C14H31N3O4/c18-10-5-15-1-3-16(6-11-19)8-13-21-14-9-17(4-2-15)7-12-20/h18-20H,1-14H2
InChIKey TUENNYSZDXTGLN-UHFFFAOYSA-N
Molecular Weight 305.419 g/mol
SMILES C1N(CCN(CCOCCN(C1)CCO)CCO)CCO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965083