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N-[2-(Thymin-1-yl)ethyl]glycine methyl ester

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

N-[2-(Thymin-1-yl)ethyl]glycine methyl ester
SpectraBase Compound ID DVbeeLll1Qc
InChI InChI=1S/C10H15N3O4/c1-7-6-13(10(16)12-9(7)15)4-3-11-5-8(14)17-2/h6,11H,3-5H2,1-2H3,(H,12,15,16)
InChIKey AQHIQMZKYJQWDJ-UHFFFAOYSA-N
Mol Weight 241.25 g/mol
Molecular Formula C10H15N3O4
Exact Mass 241.106256 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FPwTBBP4yQd
Name N-[2-(Thymin-1-yl)ethyl]glycine methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.106255971 u
Formula C10H15N3O4
InChI InChI=1S/C10H15N3O4/c1-7-6-13(10(16)12-9(7)15)4-3-11-5-8(14)17-2/h6,11H,3-5H2,1-2H3,(H,12,15,16)
InChIKey AQHIQMZKYJQWDJ-UHFFFAOYSA-N
Molecular Weight 241.247 g/mol
SMILES C(CNCCN1C(=O)NC(=O)C(C)=C1)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897472