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Cyclo(-L-ser-L-tyr) diacetate

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

Cyclo(-L-ser-L-tyr) diacetate
SpectraBase Compound ID 66DGKf0rkkD
InChI InChI=1S/C16H18N2O6/c1-9(19)23-8-14-16(22)17-13(15(21)18-14)7-11-3-5-12(6-4-11)24-10(2)20/h3-6,13-14H,7-8H2,1-2H3,(H,17,22)(H,18,21)/t13-,14-/m0/s1
InChIKey JRZDBUOMJJFVCT-KBPBESRZSA-N
Mol Weight 334.33 g/mol
Molecular Formula C16H18N2O6
Exact Mass 334.116486 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I7PLRcjmuEK
Name Cyclo(-L-ser-L-tyr) diacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.116486302 u
Formula C16H18N2O6
InChI InChI=1S/C16H18N2O6/c1-9(19)23-8-14-16(22)17-13(15(21)18-14)7-11-3-5-12(6-4-11)24-10(2)20/h3-6,13-14H,7-8H2,1-2H3,(H,17,22)(H,18,21)/t13-,14-/m0/s1
InChIKey JRZDBUOMJJFVCT-KBPBESRZSA-N
Molecular Weight 334.328 g/mol
SMILES [C@]1(NC([C@](NC1=O)([H])CC1=CC=C(C=C1)OC(=O)C)=O)([H])COC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952412