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1-oxa-4,7,10-Triazacyclododecane, 3ac derivative

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1-oxa-4,7,10-Triazacyclododecane, 3ac derivative
SpectraBase Compound ID DLxsLdo2XRg
InChI InChI=1S/C14H25N3O4/c1-12(18)15-4-6-16(13(2)19)8-10-21-11-9-17(7-5-15)14(3)20/h4-11H2,1-3H3
InChIKey DYBMSTHTYHGAMU-UHFFFAOYSA-N
Mol Weight 299.37 g/mol
Molecular Formula C14H25N3O4
Exact Mass 299.184506 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9rkeL2PzP8e
Name 1-oxa-4,7,10-Triazacyclododecane, 3ac derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.184506293 u
Formula C14H25N3O4
InChI InChI=1S/C14H25N3O4/c1-12(18)15-4-6-16(13(2)19)8-10-21-11-9-17(7-5-15)14(3)20/h4-11H2,1-3H3
InChIKey DYBMSTHTYHGAMU-UHFFFAOYSA-N
Molecular Weight 299.371 g/mol
SMILES C1N(CCN(CCOCCN(C1)C(C)=O)C(C)=O)C(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9598