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Cyclo[-D-pro-L-thr(bzl)-]

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Cyclo[-D-pro-L-thr(bzl)-]
SpectraBase Compound ID HJQgXbRgEuv
InChI InChI=1S/C16H20N2O3/c19-15-14-7-4-9-18(14)16(20)13(17-15)8-10-21-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,17,19)/t13-,14?/m1/s1
InChIKey MZSGZTZDZRGLJW-KWCCSABGSA-N
Mol Weight 288.35 g/mol
Molecular Formula C16H20N2O3
Exact Mass 288.147393 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BHiB5sa2PCD
Name Cyclo[-D-pro-L-thr(bzl)-]
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.147392509 u
Formula C16H20N2O3
InChI InChI=1S/C16H20N2O3/c19-15-14-7-4-9-18(14)16(20)13(17-15)8-10-21-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,17,19)/t13-,14?/m1/s1
InChIKey MZSGZTZDZRGLJW-KWCCSABGSA-N
SMILES C1(N2C(C(N[C@@]1(CCOCC1=CC=CC=C1)[H])=O)CCC2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951353